1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

C201H295ClF8N10O11 — CID 159405018

IUPAC1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
SMILESCC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)COc1ccc(C(C)C)cc1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.CCCn1cc(C(C)C)cn1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1
InChIInChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H17NO.C12H18.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H13F.C10H20.C9H10F2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3
InChIKeyLNVNCDZLTNXBFW-UHFFFAOYSA-N
MW3215.07 g/mol
LogP57.51
Rot. Bonds44

About 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (PubChem CID 159405018) has the molecular formula C201H295ClF8N10O11 and a molecular weight of 3215.07 g/mol. Its IUPAC name is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
PubChem CID159405018
Molecular FormulaC201H295ClF8N10O11
Molecular Weight3215.07 g/mol
Exact Mass3212.24
IUPAC Name1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole
SMILESCC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)COc1ccc(C(C)C)cc1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.CCCn1cc(C(C)C)cn1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1
InChIInChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H17NO.C12H18.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H13F.C10H20.C9H10F2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3
InChIKeyLNVNCDZLTNXBFW-UHFFFAOYSA-N
XLogP57.51
TPSA213.07 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds44
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003215.07
LogP ≤ 557.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-3-propan-2-ylbenzene;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine
CID 159157483
1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;cumene;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;2-pentan-3-yloxy-6-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
CID 160759665
1-tert-butyl-3-(2,2-dimethylpropoxy)pyrazole;1-chloro-4-propan-2-yl-2-propan-2-yloxybenzene;1-chloro-4-propan-2-yl-2-propoxybenzene;2,4-dimethyl-1-propan-2-ylbenzene;2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-fluoro-4-(2-methylpropoxy)-2-propan-2-ylbenzene;4-fluoro-7-propan-2-yl-1,3-benzodioxole;1-fluoro-3-propan-2-yl-5-propan-2-yloxybenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(4-methylpentan-2-yloxy)-6-propan-2-ylpyridine;1-(2-methylpropoxy)-3-propan-2-ylbenzene;2-(2-methylpropoxy)-5-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;4-(2-methylpropoxy)-2-propan-2-ylpyridine;1-propan-2-yl-4-propan-2-yloxybenzene
CID 157244188
1-chloro-2-fluoro-4-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;1,2-dichloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,2-dimethoxy-4-propan-2-ylbenzene;1-ethoxy-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-fluoro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1-[(2-methylpropan-2-yl)oxy]-4-propan-2-ylbenzene;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;4-propan-2-ylphenol;1-propan-2-yl-4-propan-2-yloxybenzene;1-propan-2-yl-4-(trifluoromethyl)benzene;1,3,5-trifluoro-2-propan-2-ylbenzene
CID 158934598
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-5-propan-2-ylbenzamide;1-(2-chloro-4-propan-2-ylphenyl)propan-1-one;N,N-dimethyl-3-propan-2-ylaniline;2-ethenyl-1-fluoro-4-propan-2-ylbenzene;1-ethenyl-4-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;1-fluoro-2-propan-2-ylbenzene;(2-fluoro-4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;methane;bis(2-methyl-4-propan-2-ylaniline);bis(1-methyl-4-propan-2-ylbenzene);1-propan-2-yl-3-propan-2-yloxybenzene;1-propan-2-yl-3-(propan-2-yloxymethyl)benzene
CID 159217127
2-(4-chlorophenyl)-7-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine;N-methyl-2-(3-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazoline-7-carboxamide;7-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine;2-(1-methylpiperidin-4-yl)-N-(5-methyl-1H-pyrazol-3-yl)-7-propan-2-ylquinazolin-4-amine;N-(5-methyl-1H-pyrazol-3-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 158498475
N,4-dimethyl-5-propan-2-ylpyridine-2-carboxamide;1-ethyl-2-fluoro-3-methyl-4-propan-2-ylbenzene;2-ethyl-4-methyl-5-propan-2-ylpyridine;1-methoxy-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;4-methyl-2-propan-2-ylmorpholine;3-methyl-4-propan-2-yloxolane;2-(4-methyl-5-propan-2-yl-2-pyridinyl)propan-2-ol;propan-2-ylcyclobutane;propan-2-ylcyclopentane;4-propan-2-ylmorpholine;(2S)-2-propan-2-yloxolane;(2R)-2-propan-2-yloxolane;(1-propan-2-ylpiperidin-3-yl)methanol;(3-propan-2-yl-4-pyridinyl)methanol
CID 159417642
cumene;N,N-diethyl-6-propan-2-ylpyridin-2-amine;bis(2,4-dimethyl-1-propan-2-ylbenzene);2-(2,2-dimethylpropoxy)-5-propan-2-ylpyridine;2-(2,2-dimethylpropoxy)-6-propan-2-ylpyridine;4-ethoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-(3-methylbutan-2-yloxy)-6-propan-2-ylpyridine;2-(3-methylbutoxy)-5-propan-2-ylpyridine;2-(3-methylbutoxy)-6-propan-2-ylpyridine;2-(2-methylpropoxy)-6-propan-2-ylpyridine;N-(2-methylpropyl)-6-propan-2-ylpyridin-2-amine;2-pentan-3-yloxy-6-propan-2-ylpyridine;5-pentan-3-yloxy-2-propan-2-ylpyridine;2-propan-2-yl-6-propan-2-yloxypyridine
CID 159847096
1-chloro-2-methoxy-4-propan-2-ylbenzene;2-chloropropane;cumene;ethane;2-ethoxypropane;propan-2-ylcyclopropane;1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 167667924
2-chloro-1-methyl-4-(2-methylpropyl)benzene;2-chloro-5-methyl-3-propan-2-ylpyridine;2-chloro-6-methyl-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene;2,4-dimethyl-6-propan-2-ylpyridine;2,6-dimethyl-4-propan-2-ylpyridine;1-ethoxy-3-propan-2-ylbenzene;2-fluoro-1-methyl-4-(2-methylpropyl)benzene;1-fluoro-2-propan-2-ylbenzene;methane;1-methoxy-3-methyl-5-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;5-methylidene-2-propan-2-ylcyclohexa-1,3-diene;2-methyl-5-propan-2-ylphenol;N-(2-methyl-5-propan-2-ylphenyl)acetamide;2-methyl-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3-methyl-5-propan-2-ylpyridine;6-methyl-4-propan-2-yl-1H-pyridin-2-one;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;1-(3-propan-2-ylpiperidin-1-yl)ethanone;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one;3,3,3-trifluoro-1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
CID 158600591
2-[2-chloro-5-[[2,3-dimethyl-5-[(3-propan-2-ylphenyl)methylcarbamoyl]indol-1-yl]methyl]phenoxy]-2-cyclopropylacetic acid
CID 144948500
3-chloro-N,N-dimethylbenzamide;1-chloro-4-ethoxy-2-methylbenzene;4-chloro-1-ethoxy-2-methylbenzene;1-chloro-2-methoxybenzene;4-chloro-1-methoxy-2-methylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;4-chloro-2-methyl-1-propan-2-yloxybenzene;1-chloro-2-methylsulfanylbenzene;(4-chlorophenyl)methanol;1-chloro-2-propan-2-yloxybenzene;1-chloro-3-propan-2-yloxybenzene;1-chloro-4-propan-2-yloxybenzene;1,2-dichlorobenzene;1,3-dichloro-2-methoxybenzene;1,4-dichloro-2-methoxybenzene;2,4-dichloro-1-methylbenzene;N,N-dimethylbenzenesulfonamide;N-ethyl-2-fluoro-N-methylbenzamide;2-fluoro-N-methylbenzamide;1-phenylmethoxy-4-(trifluoromethyl)benzene
CID 158758738

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
The IUPAC name of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole (CID 159405018) is 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
The canonical SMILES for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is CC(C)CCn1cc(C(C)C)cn1.CC(C)COc1cc(C(C)C)ccc1Cl.CC(C)COc1cc(F)cc(C(C)C)c1.CC(C)COc1ccc(C(C)C)cc1.CC(C)N1CCCC(c2ccccc2)C1.CC(C)Oc1ccc(C(C)C)cn1.CC(C)c1cc(O)cc(F)c1.CC(C)c1ccc(C(=O)N(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(F)c(F)c1.CC(C)c1cccc2nn(C)cc12.CC1CCC(C(C)C)CC1.CCCn1cc(C(C)C)cn1.CCOc1cc(F)cc(C(C)C)c1.CCOc1ccc(F)c(C(C)C)c1.CNC(=O)c1cc(F)cc(C(C)C)c1.COc1cc(OC)cc(C(C)C)c1.Cc1ccc(C(C)C)c(F)c1.
What is the InChIKey of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
The InChIKey is LNVNCDZLTNXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C13H19ClO.C13H19FO.C13H20O.C12H17NO.C12H18.C11H14FNO.2C11H15FO.C11H14N2.C11H20N2.C11H17NO.C11H16O2.C10H13F.C10H20.C9H10F2.C9H11FO.C9H16N2/c1-12(2)15-10-6-9-14(11-15)13-7-4-3-5-8-13;1-9(2)8-15-13-7-11(10(3)4)5-6-12(13)14;1-9(2)8-15-13-6-11(10(3)4)5-12(14)7-13;1-10(2)9-14-13-7-5-12(6-8-13)11(3)4;1-9(2)10-5-7-11(8-6-10)12(14)13(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-4-9(11(14)13-3)6-10(12)5-8;1-4-13-11-6-9(8(2)3)5-10(12)7-11;1-4-13-9-5-6-11(12)10(7-9)8(2)3;1-8(2)9-5-4-6-11-10(9)7-13(3)12-11;1-9(2)5-6-13-8-11(7-12-13)10(3)4;1-8(2)10-5-6-11(12-7-10)13-9(3)4;1-8(2)9-5-10(12-3)7-11(6-9)13-4;1-7(2)9-5-4-8(3)6-10(9)11;1-8(2)10-6-4-9(3)5-7-10;1-6(2)7-3-4-8(10)9(11)5-7;1-6(2)7-3-8(10)5-9(11)4-7;1-4-5-11-7-9(6-10-11)8(2)3/h3-5,7-8,12,14H,6,9-11H2,1-2H3;2*5-7,9-10H,8H2,1-4H3;5-8,10-11H,9H2,1-4H3;5-9H,1-4H3;5-10H,1-4H3;4-7H,1-3H3,(H,13,14);2*5-8H,4H2,1-3H3;4-8H,1-3H3;7-10H,5-6H2,1-4H3;5-9H,1-4H3;5-8H,1-4H3;4-7H,1-3H3;8-10H,4-7H2,1-3H3;3-6H,1-2H3;3-6,11H,1-2H3;6-8H,4-5H2,1-3H3.
What are the key properties of 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole?
1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole has a molecular weight of 3215.07 g/mol, XLogP of 57.51, 44 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2-methylpropoxy)-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;1,4-di(propan-2-yl)benzene;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-4-methyl-1-propan-2-ylbenzene;1-fluoro-3-(2-methylpropoxy)-5-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(3-methylbutyl)-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylcyclohexane;2-methyl-4-propan-2-ylindazole;1-(2-methylpropoxy)-4-propan-2-ylbenzene;3-phenyl-1-propan-2-ylpiperidine;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 159405018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).