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

C233H338ClF2N15O19S5 — CID 157278524

IUPAC2-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
SMILESCC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.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(CN(C)C)c1.CC(C)c1cccc(CO)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.COCCCOc1ccc(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/C16H25NO2.C14H23NO.C13H20O2.C12H19N.C11H17NO2S.C11H16O.C10H16N2.C10H15NO2S.2C10H14O2S.2C10H14O.C10H14.2C9H11F.C9H13NO2S.C9H13NO.C9H13N.C9H12.C8H10ClN.C8H12N2.2C8H11N/c1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;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;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-4-9(6-10)7-11;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;1-7(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/h4-7,14H,3,8-13H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,9H2,1-4H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4-8,11H,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);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
InChIKeyAZJQZEUNSKOBCL-UHFFFAOYSA-N
MW3887.14 g/mol
LogP57.25
Rot. Bonds53

About 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

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 (PubChem CID 157278524) has the molecular formula C233H338ClF2N15O19S5 and a molecular weight of 3887.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157278524
Molecular FormulaC233H338ClF2N15O19S5
Molecular Weight3887.14 g/mol
Exact Mass3883.42
IUPAC Name2-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
SMILESCC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.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(CN(C)C)c1.CC(C)c1cccc(CO)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.COCCCOc1ccc(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/C16H25NO2.C14H23NO.C13H20O2.C12H19N.C11H17NO2S.C11H16O.C10H16N2.C10H15NO2S.2C10H14O2S.2C10H14O.C10H14.2C9H11F.C9H13NO2S.C9H13NO.C9H13N.C9H12.C8H10ClN.C8H12N2.2C8H11N/c1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;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;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-4-9(6-10)7-11;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;1-7(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/h4-7,14H,3,8-13H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,9H2,1-4H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4-8,11H,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);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
InChIKeyAZJQZEUNSKOBCL-UHFFFAOYSA-N
XLogP57.25
TPSA446.27 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds53
Heavy Atoms275
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003887.14
LogP ≤ 557.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

(2S,6R)-4-[5-[8-(2-chloro-6-propan-2-yl-3-pyridinyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[8-(4-isocyanophenyl)-4-methoxyquinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(6-methyl-3-pyridinyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-(4-methylsulfonylphenyl)quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-(4-methoxy-8-phenylquinolin-3-yl)-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-[4-(trifluoromethoxy)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine;(2S,6R)-4-[5-[4-methoxy-8-[4-(trifluoromethyl)phenyl]quinolin-3-yl]-2-pyridinyl]-2,6-dimethylmorpholine
CID 157630700
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;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
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
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-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-chloro-4-propan-2-ylpyridine;N,N-dimethyl-3-(4-propan-2-ylphenoxy)propan-1-amine;N,N-dimethyl-1-(3-propan-2-ylphenyl)methanamine;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-(methoxymethyl)-3-propan-2-ylbenzene;2-methoxy-N-[(4-propan-2-ylphenyl)methyl]ethanamine;1-(3-methoxypropoxy)-4-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;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 159097666
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1ccc(F)cc1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1ccc(OCCCN(C)C)cc1.CC(C)c1ccc(OCCCN2CCOCC2)cc1.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(CN(C)C)c1.CC(C)c1cccc(CO)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.COCCCOc1ccc(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-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?
The InChIKey is AZJQZEUNSKOBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2.C14H23NO.C13H20O2.C12H19N.C11H17NO2S.C11H16O.C10H16N2.C10H15NO2S.2C10H14O2S.2C10H14O.C10H14.2C9H11F.C9H13NO2S.C9H13NO.C9H13N.C9H12.C8H10ClN.C8H12N2.2C8H11N/c1-14(2)15-4-6-16(7-5-15)19-11-3-8-17-9-12-18-13-10-17;1-12(2)13-6-8-14(9-7-13)16-11-5-10-15(3)4;1-11(2)12-5-7-13(8-6-12)15-10-4-9-14-3;1-10(2)12-7-5-6-11(8-12)9-13(3)4;1-9(2)10-5-7-11(8-6-10)15(13,14)12(3)4;1-9(2)11-6-4-5-10(7-11)8-12-3;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;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)10-5-3-4-9(6-10)7-11;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;1-7(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/h4-7,14H,3,8-13H2,1-2H3;6-9,12H,5,10-11H2,1-4H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,9H2,1-4H3;5-9H,1-4H3;4-7,9H,8H2,1-3H3;5-8H,1-4H3;4-8,11H,1-3H3;2*4-8H,1-3H3;4-8H,1-3H3;3-6,8,11H,7H2,1-2H3;4-8H,1-3H3;2*3-7H,1-2H3;3-7H,1-2H3,(H2,10,11,12);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-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?
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 has a molecular weight of 3887.14 g/mol, XLogP of 57.25, 53 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157278524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).