1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

C282H377ClF9N15O11S2 — CID 172973464

IUPAC1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESC=C1OCCN1c1cccc(C(C)C)c1.CC(=O)c1cc(C(C)C)ccn1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc(-n2ccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CNC(=O)c1cccc(C(C)C)c1.CNc1cc(C(C)C)ccn1.CO/N=C/c1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1
InChIInChI=1S/C13H17NO.C12H14N2.C12H17NO.2C11H15NO.C11H14O.C10H11F3O.C10H11F3.C10H13F.C10H16N2.C10H13NO.C10H11N.2C10H14O2S.6C10H14.C9H11Cl.2C9H11F.C9H14N2.3C9H13N.C9H12/c1-10(2)12-5-4-6-13(9-12)14-7-8-15-11(14)3;1-10(2)11-4-3-5-12(8-11)14-7-6-13-9-14;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-6-4-5-10(7-11)8-12-13-3;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-8(2)10-5-3-4-9(6-10)7-11;2*1-8(2)9-5-4-6-10(7-9)13(3,11)12;3*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-5-11-9(6-8)10-3;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9/h4-6,9-10H,3,7-8H2,1-2H3;3-10H,1-2H3;5-9H,1-4H3;4-9H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;6*4-8H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3,(H,10,11);3*4-7H,1-3H3;3-8H,1-2H3/b;;;12-8+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBVOJISHBPUJZDY-FGWPOYIGSA-N
MW4423.78 g/mol
LogP79.85
Rot. Bonds41

About 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene

1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 172973464) has the molecular formula C282H377ClF9N15O11S2 and a molecular weight of 4423.78 g/mol. Its IUPAC name is 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID172973464
Molecular FormulaC282H377ClF9N15O11S2
Molecular Weight4423.78 g/mol
Exact Mass4419.84
IUPAC Name1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESC=C1OCCN1c1cccc(C(C)C)c1.CC(=O)c1cc(C(C)C)ccn1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc(-n2ccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CNC(=O)c1cccc(C(C)C)c1.CNc1cc(C(C)C)ccn1.CO/N=C/c1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1
InChIInChI=1S/C13H17NO.C12H14N2.C12H17NO.2C11H15NO.C11H14O.C10H11F3O.C10H11F3.C10H13F.C10H16N2.C10H13NO.C10H11N.2C10H14O2S.6C10H14.C9H11Cl.2C9H11F.C9H14N2.3C9H13N.C9H12/c1-10(2)12-5-4-6-13(9-12)14-7-8-15-11(14)3;1-10(2)11-4-3-5-12(8-11)14-7-6-13-9-14;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-6-4-5-10(7-11)8-12-13-3;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-8(2)10-5-3-4-9(6-10)7-11;2*1-8(2)9-5-4-6-10(7-9)13(3,11)12;3*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-5-11-9(6-8)10-3;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9/h4-6,9-10H,3,7-8H2,1-2H3;3-10H,1-2H3;5-9H,1-4H3;4-9H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;6*4-8H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3,(H,10,11);3*4-7H,1-3H3;3-8H,1-2H3/b;;;12-8+;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyBVOJISHBPUJZDY-FGWPOYIGSA-N
XLogP79.85
TPSA329.34 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004423.78
LogP ≤ 579.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene with MolForge

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Related Compounds

2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
CID 158060965
5-tert-butyl-2-chloropyridine;1-tert-butyl-4-cyclopropylbenzene;5-tert-butyl-2-fluoropyridine;5-tert-butyl-2-isocyanopyridine;5-tert-butyl-2-methoxypyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-N-methylpyridine-2-carboxamide;1-tert-butyl-4-methylsulfonylbenzene;2-(4-tert-butylphenyl)-1H-imidazole;4-(4-tert-butylphenyl)sulfonylmorpholine;5-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethylsulfonyl)benzene;5-isocyano-2-methylpyridine
CID 159377920
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;2-(4-tert-butylcyclohexyl)-5-ethylpyrimidine;4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
CID 159613797
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;1-tert-butyl-2-methyl-4-methylsulfonylbenzene;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 161987565
N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-(2-fluoro-3-propan-2-ylphenyl)ethanone;1-(2-fluoro-5-propan-2-ylphenyl)ethanone;1-(3-fluoro-5-propan-2-ylphenyl)ethanone;(E)-1-(3-fluoro-5-propan-2-ylphenyl)-N-methoxymethanimine;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-4-propan-2-ylbenzene;N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone
CID 172971295

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene (CID 172973464) is 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is C=C1OCCN1c1cccc(C(C)C)c1.CC(=O)c1cc(C(C)C)ccn1.CC(=O)c1cccc(C(C)C)c1.CC(C)c1ccc(N(C)C)nc1.CC(C)c1cccc(-n2ccnc2)c1.CC(C)c1cccc(C#N)c1.CC(C)c1cccc(C(=O)N(C)C)c1.CC(C)c1cccc(C(F)(F)F)c1.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(OC(F)(F)F)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1.CC(C)c1ccccc1F.CNC(=O)c1cccc(C(C)C)c1.CNc1cc(C(C)C)ccn1.CO/N=C/c1cccc(C(C)C)c1.Cc1cc(C(C)C)ccn1.Cc1cc(C(C)C)ccn1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1F.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1cncc(C(C)C)c1.
What is the InChIKey of 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is BVOJISHBPUJZDY-FGWPOYIGSA-N. The full InChI is InChI=1S/C13H17NO.C12H14N2.C12H17NO.2C11H15NO.C11H14O.C10H11F3O.C10H11F3.C10H13F.C10H16N2.C10H13NO.C10H11N.2C10H14O2S.6C10H14.C9H11Cl.2C9H11F.C9H14N2.3C9H13N.C9H12/c1-10(2)12-5-4-6-13(9-12)14-7-8-15-11(14)3;1-10(2)11-4-3-5-12(8-11)14-7-6-13-9-14;1-9(2)10-6-5-7-11(8-10)12(14)13(3)4;1-9(2)11-6-4-5-10(7-11)8-12-13-3;1-8(2)9-5-4-6-10(7-9)11(13)12-3;1-8(2)10-5-4-6-11(7-10)9(3)12;1-7(2)8-4-3-5-9(6-8)14-10(11,12)13;1-7(2)8-4-3-5-9(6-8)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-8(2)9-5-6-10(11-7-9)12(3)4;1-7(2)9-4-5-11-10(6-9)8(3)12;1-8(2)10-5-3-4-9(6-10)7-11;2*1-8(2)9-5-4-6-10(7-9)13(3,11)12;3*1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;2*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10;1-7(2)8-4-5-11-9(6-8)10-3;1-7(2)9-4-8(3)5-10-6-9;2*1-7(2)9-4-5-10-8(3)6-9;1-8(2)9-6-4-3-5-7-9/h4-6,9-10H,3,7-8H2,1-2H3;3-10H,1-2H3;5-9H,1-4H3;4-9H,1-3H3;4-8H,1-3H3,(H,12,13);4-8H,1-3H3;3-7H,1-2H3;3-7H,1-2H3;4-7H,1-3H3;5-8H,1-4H3;4-7H,1-3H3;3-6,8H,1-2H3;2*4-8H,1-3H3;6*4-8H,1-3H3;3*3-7H,1-2H3;4-7H,1-3H3,(H,10,11);3*4-7H,1-3H3;3-8H,1-2H3/b;;;12-8+;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene?
1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 4423.78 g/mol, XLogP of 79.85, 41 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-propan-2-ylbenzene;cumene;N,N-dimethyl-3-propan-2-ylbenzamide;N,N-dimethyl-5-propan-2-ylpyridin-2-amine;2-fluoro-1-methyl-4-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;(E)-N-methoxy-1-(3-propan-2-ylphenyl)methanimine;2-methylidene-3-(3-propan-2-ylphenyl)-1,3-oxazolidine;N-methyl-3-propan-2-ylbenzamide;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-3-propan-2-ylbenzene);tris(1-methyl-4-propan-2-ylbenzene);N-methyl-4-propan-2-ylpyridin-2-amine;bis(2-methyl-4-propan-2-ylpyridine);3-methyl-5-propan-2-ylpyridine;bis(1-methylsulfonyl-3-propan-2-ylbenzene);3-propan-2-ylbenzonitrile;1-(3-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)imidazole;1-(4-propan-2-yl-2-pyridinyl)ethanone;1-propan-2-yl-3-(trifluoromethoxy)benzene;1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 172973464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).