2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene

C286H543Cl4F3N16OS3 — CID 160974423

IUPAC2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C.CC(C)C(C)C.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCC1C.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN1C.CC(C)C1CCCO1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC1CCCN1.CCC(CC)C(C)C.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccccc1C(C)C.Cc1nc(C(C)C)cs1
InChIInChI=1S/C10H13Cl.C10H11F3.C10H14.C9H10Cl2.C9H11Cl.3C9H19N.6C9H18.2C9H12.2C8H17N.C8H11N.C8H17N.C8H11N.2C8H16.C8H18.C7H12N2.C7H11NS.C7H14O.C6H10N2.2C6H9NS.C6H12.C6H14.C5H11N.C4H10.15CH4/c1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)9-6-4-5-8(9)3;7*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-6(3)8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-5-3-2-4-6-5;1-4(2)3;;;;;;;;;;;;;;;/h4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;5*8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*7-8H,4-6H2,1-3H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-6H,2-4H2,1H3;4H,1-3H3;15*1H4
InChIKeySYRDCDQIAWVUOD-UHFFFAOYSA-N
MW4517.61 g/mol
LogP95.79
Rot. Bonds34

About 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene

2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 160974423) has the molecular formula C286H543Cl4F3N16OS3 and a molecular weight of 4517.61 g/mol. Its IUPAC name is 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID160974423
Molecular FormulaC286H543Cl4F3N16OS3
Molecular Weight4517.61 g/mol
Exact Mass4512.08
IUPAC Name2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C.CC(C)C(C)C.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCC1C.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN1C.CC(C)C1CCCO1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC1CCCN1.CCC(CC)C(C)C.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccccc1C(C)C.Cc1nc(C(C)C)cs1
InChIInChI=1S/C10H13Cl.C10H11F3.C10H14.C9H10Cl2.C9H11Cl.3C9H19N.6C9H18.2C9H12.2C8H17N.C8H11N.C8H17N.C8H11N.2C8H16.C8H18.C7H12N2.C7H11NS.C7H14O.C6H10N2.2C6H9NS.C6H12.C6H14.C5H11N.C4H10.15CH4/c1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)9-6-4-5-8(9)3;7*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-6(3)8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-5-3-2-4-6-5;1-4(2)3;;;;;;;;;;;;;;;/h4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;5*8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*7-8H,4-6H2,1-3H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-6H,2-4H2,1H3;4H,1-3H3;15*1H4
InChIKeySYRDCDQIAWVUOD-UHFFFAOYSA-N
XLogP95.79
TPSA160.44 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms313
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004517.61
LogP ≤ 595.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene with MolForge

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Related Compounds

1,4-dimethyl-2-propan-2-ylpiperazine;ethane;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;4-methyl-2-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;bis(1-methyl-2-propan-2-ylpiperidine);1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;2-propan-2-yl-1,3-dihydroisoindole;1-propan-2-ylimidazole;bis(1-propan-2-ylpiperidine);3-propan-2-yl-1H-pyrazin-2-one;5-propan-2-yl-1H-pyrazin-2-one;6-propan-2-yl-1H-pyrazin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161372680
cumene;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;1-propan-2-ylnaphthalene;4-propan-2-yloxane;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yloxolane;propan-2-yloxybenzene;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;bis(1-propan-2-ylpyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 162181482
1-methyl-3-propan-2-ylazetidine;1-methyl-2-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;3-propan-2-yloxetane;1-propan-2-ylpiperidine;2-propan-2-ylpyridine
CID 167707679
1-chloro-2-propan-2-ylbenzene;cumene;1-fluoro-1-methyl-3-propan-2-ylcyclobutane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-ylfuran;1-propan-2-ylpiperidine;2-propan-2-ylpyridine;1-propan-2-yl-4-(trifluoromethyl)benzene
CID 162243126
1-tert-butyl-2-ethylbenzene;1-tert-butyl-3-fluorobenzene;1-tert-butyl-4-fluorobenzene;4-tert-butyl-1-methylpiperidine;2-tert-butylphenol;1-tert-butyl-2-propan-2-ylbenzene;4-tert-butyl-1-propan-2-ylpiperidine;2-tert-butylpyrazine;2-chloro-6-propan-2-ylpyrazine;N,N-diethyl-6-propan-2-ylpyrazin-2-amine;N,N-dimethyl-6-propan-2-ylpyrazin-2-amine;2,4-di(propan-2-yl)-1,3-thiazole;2-imidazol-1-yl-6-propan-2-ylpyrazine;2-methyl-4-propan-2-yl-1,3-thiazole;4-(6-propan-2-ylpyrazin-2-yl)morpholine;1-(6-propan-2-ylpyrazin-2-yl)pyridin-2-one;2-propan-2-yl-6-pyrrolidin-1-ylpyrazine;4-propan-2-yl-1,3-thiazole
CID 158438996
1-chloro-2-propan-2-ylbenzene;2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;cumene;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-piperidin-1-yl-5-propan-2-ylpyridine;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;1-(2-propan-2-ylphenyl)piperidine;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-(3-propan-2-yl-2-pyridinyl)morpholine;4-(4-propan-2-yl-2-pyridinyl)morpholine;4-(5-propan-2-yl-2-pyridinyl)morpholine;2-propan-2-ylpyrimidine;2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 160675080
1-tert-butyl-2-cyclobutylbenzene;2-tert-butyl-N,N-dimethylbenzamide;1-tert-butyl-2-methylbenzene;2-(2-tert-butylphenyl)-1H-imidazole;3-(2-tert-butylphenyl)-1-methylazetidine;2-(2-tert-butylphenyl)-1-methylimidazole;N-(3-tert-butylphenyl)-N-methylmethanesulfonamide;3-(2-tert-butylphenyl)-1-methylpiperidine;4-(2-tert-butylphenyl)-1-methylpiperidine;3-(2-tert-butylphenyl)-1-methylpyrrolidine;3-(2-tert-butylphenyl)piperidine;bis(1-(2-tert-butylphenyl)propan-1-one);5-(2-tert-butylphenyl)-3H-pyrrole;1-(2-tert-butylphenyl)sulfonyl-3-methylpyrrolidine;1-[4-(2-tert-butylphenyl)sulfonylpiperazin-1-yl]ethanone;1-(2-tert-butylphenyl)sulfonylpyrrolidine;2-tert-butyl-3-propan-2-ylpyridine;methane
CID 159243334
1-methyl-2-propan-2-ylimidazole;3-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-ylpyridine;2-propan-2-ylpyridine-4-carboxylic acid;6-propan-2-ylpyridine-3-carboxylic acid;6-propan-2-ylpyridin-3-ol;2-propan-2-yl-1H-pyridin-4-one
CID 159125862
tert-butylbenzene;3-tert-butylbenzenesulfonamide;1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-fluorobenzene;propan-2-ylcyclopropane;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 158726274
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;1,3-dimethyl-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylpyridine;2-piperidin-1-yl-5-propan-2-ylpyridine;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole
CID 157323699
3-tert-butyl-3-azabicyclo[3.2.1]octane;1-tert-butylazetidine;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-indole;2-tert-butylfuran;5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;3-tert-butyloxolane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butyl-3H-pyrrole;cumene;3-propan-2-yl-3-azabicyclo[3.1.0]hexane;7-propan-2-yl-1-benzofuran;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;6-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-1H-pyridin-2-one;1-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;5-propan-2-ylquinoline;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene
CID 160672955
bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);3-(difluoromethyl)-4-methylpentan-1-ol;3,3-difluoro-1-methyl-4-propan-2-ylpyrrolidine;3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine;1,2-difluoro-3-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,2-difluoro-4-propan-2-ylpyrrolidine;3,3-difluoro-4-propan-2-ylpyrrolidine;2,2-dimethyl-4-propan-2-yloxolane;1-ethyl-3,3-difluoro-4-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylcyclohexan-1-ol;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-yl-2,3-dihydro-1H-inden-1-ol;3-propan-2-yl-2,3-dihydroinden-1-one;(4-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 162018635

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene (CID 160974423) is 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C.CC(C)C(C)C.CC(C)C1CC1.CC(C)C1CCCC1.CC(C)C1CCCC1.CC(C)C1CCCC1C.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCC1.CC(C)C1CCCCN1.CC(C)C1CCCCN1C.CC(C)C1CCCN(C)C1.CC(C)C1CCCN1C.CC(C)C1CCCO1.CC(C)C1CCN(C)C1.CC(C)C1CCN(C)CC1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1ccccc1.CC(C)c1ccccc1.CC(C)c1ccccc1C(F)(F)F.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cscn1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1nccn1C.CC1CCCN1.CCC(CC)C(C)C.Cc1ccc(C(C)C)c(Cl)c1.Cc1ccccc1C(C)C.Cc1nc(C(C)C)cs1.
What is the InChIKey of 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is SYRDCDQIAWVUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl.C10H11F3.C10H14.C9H10Cl2.C9H11Cl.3C9H19N.6C9H18.2C9H12.2C8H17N.C8H11N.C8H17N.C8H11N.2C8H16.C8H18.C7H12N2.C7H11NS.C7H14O.C6H10N2.2C6H9NS.C6H12.C6H14.C5H11N.C4H10.15CH4/c1-7(2)9-5-4-8(3)6-10(9)11;1-7(2)8-5-3-4-6-9(8)10(11,12)13;1-8(2)10-7-5-4-6-9(10)3;1-6(2)9-7(10)4-3-5-8(9)11;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-4-6-10(3)7-5-9;1-8(2)9-5-4-6-10(3)7-9;1-8(2)9-6-4-5-7-10(9)3;1-7(2)9-6-4-5-8(9)3;7*1-8(2)9-6-4-3-5-7-9;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-7(2)8-4-3-5-9-6-8;2*1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-5-8(6-2)7(3)4;1-6(2)7-8-4-5-9(7)3;1-5(2)7-4-9-6(3)8-7;1-6(2)7-4-3-5-8-7;1-5(2)6-7-3-4-8-6;2*1-5(2)6-3-8-4-7-6;1-5(2)6-3-4-6;1-5(2)6(3)4;1-5-3-2-4-6-5;1-4(2)3;;;;;;;;;;;;;;;/h4-7H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-6H,1-2H3;3-7H,1-2H3;3*8-9H,4-7H2,1-3H3;7-9H,4-6H2,1-3H3;5*8-9H,3-7H2,1-2H3;2*3-8H,1-2H3;2*7-8H,4-6H2,1-3H3;3-7H,1-2H3;7-9H,3-6H2,1-2H3;3-7H,1-2H3;2*7-8H,3-6H2,1-2H3;7-8H,5-6H2,1-4H3;4-6H,1-3H3;4-5H,1-3H3;6-7H,3-5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3;5-6H,3-4H2,1-2H3;5-6H,1-4H3;5-6H,2-4H2,1H3;4H,1-3H3;15*1H4.
What are the key properties of 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene?
2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 4517.61 g/mol, XLogP of 95.79, 34 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;cumene;1,3-dichloro-2-propan-2-ylbenzene;2,3-dimethylbutane;3-ethyl-2-methylpentane;methane;2-methylpropane;1-methyl-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylcyclopentane;1-methyl-2-propan-2-ylimidazole;1-methyl-2-propan-2-ylpiperidine;1-methyl-3-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-methyl-2-propan-2-ylpyrrolidine;1-methyl-3-propan-2-ylpyrrolidine;2-methyl-4-propan-2-yl-1,3-thiazole;2-methylpyrrolidine;pentakis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);propan-2-ylcyclopropane;2-propan-2-yl-1H-imidazole;2-propan-2-yloxolane;2-propan-2-ylpiperidine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-yl-1,3-thiazole);1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 160974423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).