1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene

C215H334ClF9N16O7 — CID 161087555

IUPAC1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C1CN(C(C)C)CCN1.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1nc(-c2ccccc2)cc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncccn1.CCCCc1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(=O)[nH]c(C(C)C)n1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cccc(C)c1C(C)C.Cc1ccoc1C(C)C
InChIInChI=1S/C13H14N2O.C13H20.C12H13N.C11H10F6.C11H14N2.C11H17N.C11H16O.2C11H16.C10H13Cl.C10H11F3O.2C10H14O.2C9H13N.C8H12N2O.C8H16N2.C8H12O.2C7H10N2.15CH4/c1-9(2)13-14-11(8-12(16)15-13)10-6-4-3-5-7-10;1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;2*1-7(2)9-5-4-8(3)6-10-9;1-5(2)8-9-6(3)4-7(11)10-8;1-7(2)10-5-4-9-8(3)6-10;1-6(2)8-7(3)4-5-9-8;2*1-6(2)7-8-4-3-5-9-7;;;;;;;;;;;;;;;/h3-9H,1-2H3,(H,14,15,16);7-11H,4-6H2,1-3H3;3-9H,1-2H3;3-6H,1-2H3;4-7H,1-3H3,(H,12,13);5-9H,1-4H3;5-9H,4H2,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;2*4-8H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H,9,10,11);7,9H,3-6H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;15*1H4
InChIKeyUGSOGNSZQYRYFP-UHFFFAOYSA-N
MW3461.58 g/mol
LogP66.46
Rot. Bonds30

About 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene

1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 161087555) has the molecular formula C215H334ClF9N16O7 and a molecular weight of 3461.58 g/mol. Its IUPAC name is 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID161087555
Molecular FormulaC215H334ClF9N16O7
Molecular Weight3461.58 g/mol
Exact Mass3458.58
IUPAC Name1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C1CN(C(C)C)CCN1.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1nc(-c2ccccc2)cc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncccn1.CCCCc1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(=O)[nH]c(C(C)C)n1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cccc(C)c1C(C)C.Cc1ccoc1C(C)C
InChIInChI=1S/C13H14N2O.C13H20.C12H13N.C11H10F6.C11H14N2.C11H17N.C11H16O.2C11H16.C10H13Cl.C10H11F3O.2C10H14O.2C9H13N.C8H12N2O.C8H16N2.C8H12O.2C7H10N2.15CH4/c1-9(2)13-14-11(8-12(16)15-13)10-6-4-3-5-7-10;1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;2*1-7(2)9-5-4-8(3)6-10-9;1-5(2)8-9-6(3)4-7(11)10-8;1-7(2)10-5-4-9-8(3)6-10;1-6(2)8-7(3)4-5-9-8;2*1-6(2)7-8-4-3-5-9-7;;;;;;;;;;;;;;;/h3-9H,1-2H3,(H,14,15,16);7-11H,4-6H2,1-3H3;3-9H,1-2H3;3-6H,1-2H3;4-7H,1-3H3,(H,12,13);5-9H,1-4H3;5-9H,4H2,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;2*4-8H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H,9,10,11);7,9H,3-6H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;15*1H4
InChIKeyUGSOGNSZQYRYFP-UHFFFAOYSA-N
XLogP66.46
TPSA278.98 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms248
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003461.58
LogP ≤ 566.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

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Launch Full Analysis

Related Compounds

methyl N-[(1S)-2-[(2S,4S)-2-[7-[5-chloro-4-[[6-[(2R)-4-(2,2-dimethylpropanoyl)-2-methylpiperazin-1-yl]pyridin-3-yl]carbamoyl]-2-(trifluoromethoxy)phenyl]-3H-benzo[e]benzimidazol-2-yl]-4-methylpyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 89880204
2-chloro-N-[6-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-3-pyridinyl]-4-[2-(1,4-dimethylpyrrolidin-2-yl)-3H-benzo[e]benzimidazol-7-yl]-5-(trifluoromethoxy)benzamide;methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 145663256
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indene;5-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158088265
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;4-methyl-7-propan-2-yl-1H-benzimidazole;5-methyl-2-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;12-propan-2-yl-7-oxa-2-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,9(13),10-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158104173
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;7-fluoro-2-methyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;bis(10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene);2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 158112888
2-tert-butyl-1-benzofuran;2-tert-butyl-1-chloro-4-(trifluoromethyl)benzene;2-tert-butyl-1,3-difluorobenzene;1-tert-butyl-2,5-difluoro-4-methylbenzene;1-tert-butyl-2-ethoxybenzene;2-tert-butyl-3-methyl-1-benzofuran;2-tert-butylquinoline;[3-(4-fluoro-2-methylphenyl)-8-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;[8-methyl-3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-(2-methylphenyl)methanone;(2-methylphenyl)-[3-(2-methylphenyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 158234678
2-[4-(4-ethylhexoxy)-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(1,6-naphthyridin-8-yl)ethynyl]phenyl]ethanone;1-[3-(2-isoquinolin-4-ylethynyl)-4-methylphenyl]-2-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;2-[4-[2-[4-methyl-3-[2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethynyl]phenyl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]ethanimidamide;2-[4-[2-[2-methyl-5-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]ethynyl]isoquinolin-8-yl]guanidine
CID 158262551
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;1-[3-(2,2-dimethylpropyl)azetidin-1-yl]ethanone;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
CID 159344306
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;2,7-dimethyl-8-propan-2-ylquinoline;8-fluoro-5-methyl-6-propan-2-yl-3,4-dihydro-2H-chromene;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 159569791
1-chloro-4-propan-2-ylbenzene;5-chloro-2-propan-2-ylpyridine;cumene;2,4-dichloro-1-propan-2-ylbenzene;5,8-dimethyl-6-propan-2-yl-3,4-dihydro-2H-chromene;2,7-dimethyl-8-propan-2-ylquinoline;5-fluoro-8-propan-2-ylquinoline;6-fluoro-8-propan-2-ylquinoline;5-methyl-2-propan-2-ylpyridine;bis(4-propan-2-yl-1H-benzimidazole);5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-3,4-dihydro-2H-chromene;6-propan-2-yl-1H-indole;10-propan-2-yl-2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene;10-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene;2-propan-2-ylpyridine;1-propan-2-ylpyridin-2-one;bis(8-propan-2-ylquinoline);8-propan-2-yl-5-(trifluoromethyl)quinoline
CID 160175049
1-(1-benzylpiperidin-4-yl)-1-[(6-methyl-2-pyridinyl)methyl]-3-[3-(trifluoromethyl)phenyl]urea;1-(1-benzylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]urea;3-(3-chloro-4-methylphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea;2-[1-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidin-4-yl]-6-methyl-1H-benzimidazole
CID 160203899

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 161087555) is 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=C1CN(C(C)C)CCN1.CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.CC(C)c1ccc(N(C)C)cc1.CC(C)c1cccc2cccnc12.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1nc(-c2ccccc2)cc(=O)[nH]1.CC(C)c1ncccn1.CC(C)c1ncccn1.CCCCc1ccc(C(C)C)cc1.CCOc1cccc(C(C)C)c1.COc1cccc(C(C)C)c1.COc1ccccc1C(C)C.Cc1cc(=O)[nH]c(C(C)C)n1.Cc1ccc(C(C)C)c(C)c1.Cc1ccc(C(C)C)nc1.Cc1ccc(C(C)C)nc1.Cc1ccc(Cl)c(C(C)C)c1.Cc1ccc2nc(C(C)C)[nH]c2c1.Cc1cccc(C)c1C(C)C.Cc1ccoc1C(C)C.
What is the InChIKey of 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is UGSOGNSZQYRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O.C13H20.C12H13N.C11H10F6.C11H14N2.C11H17N.C11H16O.2C11H16.C10H13Cl.C10H11F3O.2C10H14O.2C9H13N.C8H12N2O.C8H16N2.C8H12O.2C7H10N2.15CH4/c1-9(2)13-14-11(8-12(16)15-13)10-6-4-3-5-7-10;1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-6(2)7-3-8(10(12,13)14)5-9(4-7)11(15,16)17;1-7(2)11-12-9-5-4-8(3)6-10(9)13-11;1-9(2)10-5-7-11(8-6-10)12(3)4;1-4-12-11-7-5-6-10(8-11)9(2)3;1-8(2)11-6-5-9(3)7-10(11)4;1-8(2)11-9(3)6-5-7-10(11)4;1-7(2)9-6-8(3)4-5-10(9)11;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-5-4-6-10(7-9)11-3;1-8(2)9-6-4-5-7-10(9)11-3;2*1-7(2)9-5-4-8(3)6-10-9;1-5(2)8-9-6(3)4-7(11)10-8;1-7(2)10-5-4-9-8(3)6-10;1-6(2)8-7(3)4-5-9-8;2*1-6(2)7-8-4-3-5-9-7;;;;;;;;;;;;;;;/h3-9H,1-2H3,(H,14,15,16);7-11H,4-6H2,1-3H3;3-9H,1-2H3;3-6H,1-2H3;4-7H,1-3H3,(H,12,13);5-9H,1-4H3;5-9H,4H2,1-3H3;2*5-8H,1-4H3;4-7H,1-3H3;3-7H,1-2H3;2*4-8H,1-3H3;2*4-7H,1-3H3;4-5H,1-3H3,(H,9,10,11);7,9H,3-6H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;15*1H4.
What are the key properties of 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene?
1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 3461.58 g/mol, XLogP of 66.46, 30 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propan-2-ylbenzene;1-chloro-4-methyl-2-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylaniline;1,3-dimethyl-2-propan-2-ylbenzene;2,4-dimethyl-1-propan-2-ylbenzene;1-ethoxy-3-propan-2-ylbenzene;methane;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;3-methylidene-1-propan-2-ylpiperazine;6-methyl-2-propan-2-yl-1H-benzimidazole;3-methyl-2-propan-2-ylfuran;bis(5-methyl-2-propan-2-ylpyridine);4-methyl-2-propan-2-yl-1H-pyrimidin-6-one;4-phenyl-2-propan-2-yl-1H-pyrimidin-6-one;1-propan-2-yl-3,5-bis(trifluoromethyl)benzene;bis(2-propan-2-ylpyrimidine);8-propan-2-ylquinoline;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 161087555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).