2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid

C241H327Cl2F5N14O25S5 — CID 159919830

IUPAC2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid
SMILESCC(C)c1ccc(C(=O)O)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)O)c(Cl)c1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc(CO)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccnc(N)c1.CC(C)c1ccncc1.CNS(=O)(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COCc1cccc(C(C)C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C12H19N.C11H11F3O2.C11H17NO2S.C11H14O2.C11H16O.C10H11ClO2.C10H16N2.C10H15NO2S.2C10H14O2S.2C10H12O2.C10H14O.C10H14.2C9H11F.C9H13NO2S.C9H11NO2.C9H13NO.C9H13N.C9H12.C8H10ClN.C8H12N2.2C8H11N/c1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-6(2)7-3-4-8(10(15)16)9(5-7)11(12,13)14;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-9(2)11-6-4-5-10(7-11)8-12-3;1-6(2)7-3-4-8(10(12)13)9(11)5-7;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-10-9(5-8)6-11;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8/h5-8,10H,9H2,1-4H3;3-6H,1-2H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3;4-7,9H,8H2,1-3H3;3-6H,1-2H3,(H,12,13);5-8H,1-4H3;4-8,11H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3
InChIKeyNYGGPLXALXFVDC-UHFFFAOYSA-N
MW4146.57 g/mol
LogP61.88
Rot. Bonds45

About 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid

2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid (PubChem CID 159919830) has the molecular formula C241H327Cl2F5N14O25S5 and a molecular weight of 4146.57 g/mol. Its IUPAC name is 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid
PubChem CID159919830
Molecular FormulaC241H327Cl2F5N14O25S5
Molecular Weight4146.57 g/mol
Exact Mass4142.26
IUPAC Name2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid
SMILESCC(C)c1ccc(C(=O)O)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)O)c(Cl)c1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc(CO)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccnc(N)c1.CC(C)c1ccncc1.CNS(=O)(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COCc1cccc(C(C)C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1
InChIInChI=1S/C12H19N.C11H11F3O2.C11H17NO2S.C11H14O2.C11H16O.C10H11ClO2.C10H16N2.C10H15NO2S.2C10H14O2S.2C10H12O2.C10H14O.C10H14.2C9H11F.C9H13NO2S.C9H11NO2.C9H13NO.C9H13N.C9H12.C8H10ClN.C8H12N2.2C8H11N/c1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-6(2)7-3-4-8(10(15)16)9(5-7)11(12,13)14;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-9(2)11-6-4-5-10(7-11)8-12-3;1-6(2)7-3-4-8(10(12)13)9(11)5-7;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-10-9(5-8)6-11;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8/h5-8,10H,9H2,1-4H3;3-6H,1-2H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3;4-7,9H,8H2,1-3H3;3-6H,1-2H3,(H,12,13);5-8H,1-4H3;4-8,11H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3
InChIKeyNYGGPLXALXFVDC-UHFFFAOYSA-N
XLogP61.88
TPSA599.10 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds45
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004146.57
LogP ≤ 561.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Analyze 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-4-propan-2-ylbenzoic acid;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-(1-methoxyethenyl)-5-propan-2-ylpyridine;1-methoxy-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;4-propan-2-yl-2-(trifluoromethyl)benzoic acid
CID 159887846
2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid
CID 161559174
3-tert-butylbenzoic acid;4-tert-butyl-2-chlorobenzoic acid;5-tert-butylpyridine-2-carboxylic acid;4-tert-butyl-2-(trifluoromethyl)benzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;methyl 4-tert-butylbenzoate;methyl 5-tert-butylpyridine-2-carboxylate;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-2-pyridinyl)methanol
CID 161732255
2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-(1-methoxyethenyl)-5-propan-2-ylpyridine;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid
CID 161971765
2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-2-pyridinyl)methanol
CID 157278524
2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;(4-propan-2-yl-2-pyridinyl)methanol
CID 158497321
2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
CID 159257248
2-benzyl-5-propan-2-ylpyridine;2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol;2-phenyl-5-propan-2-ylpyridine
CID 159560486
2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2,5-di(propan-2-yl)pyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
CID 159782929
2-[(2-chlorophenyl)methyl]-5-propan-2-ylpyridine;2-(2-chlorophenyl)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;2-[(2-methoxyphenyl)methyl]-5-propan-2-ylpyridine;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;N-methyl-4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-methyl-3-phenyl-5-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
CID 160360130
2-chloro-4-propan-2-ylpyridine;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;4-[3-(4-propan-2-ylphenoxy)propyl]morpholine;(3-propan-2-ylphenyl)methanol;4-propan-2-ylpyridin-2-amine;(4-propan-2-yl-2-pyridinyl)methanol
CID 161888541
2-(2-chlorophenyl)-5-propan-2-ylpyridine;N,N-dimethyl-3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;2-(2,3-dimethylphenoxy)-5-propan-2-ylpyridine;2,5-di(propan-2-yl)pyridine;methane;N-(2-methoxyphenyl)-5-propan-2-ylpyridin-2-amine;2-(4-methylphenyl)sulfonyl-3-propan-2-ylpyridine;4-(2-methyl-5-propan-2-yl-3-pyridinyl)benzamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzenesulfonamide;3-(2-methyl-5-propan-2-yl-3-pyridinyl)benzoic acid;[3-(2-methyl-5-propan-2-yl-3-pyridinyl)phenyl]methanol
CID 162149836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid (CID 159919830) is 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid is CC(C)c1ccc(C(=O)O)c(C(F)(F)F)c1.CC(C)c1ccc(C(=O)O)c(Cl)c1.CC(C)c1ccc(C(=O)O)cc1.CC(C)c1ccc(C(=O)O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(S(=O)(=O)N(C)C)cc1.CC(C)c1ccc(S(C)(=O)=O)cc1.CC(C)c1ccc(S(N)(=O)=O)cc1.CC(C)c1cccc(C(=O)O)c1.CC(C)c1cccc(CN(C)C)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1cccnc1.CC(C)c1ccnc(CO)c1.CC(C)c1ccnc(Cl)c1.CC(C)c1ccnc(N)c1.CC(C)c1ccncc1.CNS(=O)(=O)c1ccc(C(C)C)cc1.COC(=O)c1ccc(C(C)C)cc1.COCc1cccc(C(C)C)c1.COc1ccc(C(C)C)cc1.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)c1.
What is the InChIKey of 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid?
The InChIKey is NYGGPLXALXFVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H11F3O2.C11H17NO2S.C11H14O2.C11H16O.C10H11ClO2.C10H16N2.C10H15NO2S.2C10H14O2S.2C10H12O2.C10H14O.C10H14.2C9H11F.C9H13NO2S.C9H11NO2.C9H13NO.C9H13N.C9H12.C8H10ClN.C8H12N2.2C8H11N/c1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-6(2)7-3-4-8(10(15)16)9(5-7)11(12,13)14;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-8(2)9-4-6-10(7-5-9)11(12)13-3;1-9(2)11-6-4-5-10(7-11)8-12-3;1-6(2)7-3-4-8(10(12)13)9(11)5-7;1-8(2)9-5-6-10(11-7-9)12(3)4;1-8(2)9-4-6-10(7-5-9)14(12,13)11-3;1-8(2)9-4-6-10(7-5-9)13(3,11)12;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-7(2)8-3-5-9(6-4-8)10(11)12;1-7(2)8-4-3-5-9(6-8)10(11)12;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-6-4-5-9(3)7-10;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-3-5-9(6-4-8)13(10,11)12;1-6(2)7-3-4-8(9(11)12)10-5-7;1-7(2)8-3-4-10-9(5-8)6-11;1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9;2*1-6(2)7-3-4-10-8(9)5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8/h5-8,10H,9H2,1-4H3;3-6H,1-2H3,(H,15,16);5-9H,1-4H3;4-8H,1-3H3;4-7,9H,8H2,1-3H3;3-6H,1-2H3,(H,12,13);5-8H,1-4H3;4-8,11H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3,(H,11,12);4-8H,1-3H3;4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);3-6H,1-2H3,(H,11,12);3-5,7,11H,6H2,1-2H3;4-7H,1-3H3;3-8H,1-2H3;3-6H,1-2H3;3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3.
What are the key properties of 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid?
2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid has a molecular weight of 4146.57 g/mol, XLogP of 61.88, 45 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propan-2-ylbenzoic acid;2-chloro-4-propan-2-ylpyridine;cumene;N,N-dimethyl-4-propan-2-ylbenzenesulfonamide;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;N-methyl-4-propan-2-ylbenzenesulfonamide;methyl 4-propan-2-ylbenzoate;2-methyl-4-propan-2-ylpyridine;1-methylsulfonyl-3-propan-2-ylbenzene;1-methylsulfonyl-4-propan-2-ylbenzene;4-propan-2-ylbenzenesulfonamide;3-propan-2-ylbenzoic acid;4-propan-2-ylbenzoic acid;4-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carboxylic acid;(4-propan-2-yl-2-pyridinyl)methanol;4-propan-2-yl-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 159919830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).