1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene

C229H341Cl3F13N3O16 — CID 157089441

IUPAC1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2c(C)cc(C)cc2C)CCC(C(C)C)CC1.COC1(Cc2ccc(C)c(C)c2)CCC(C(C)C)CC1.COC1(Cc2ccc(C)cc2C)CCC(C(C)C)CC1.COC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)C)CC1.COC1(Cc2ccc(F)c(F)c2F)CCC(C(C)C)CC1.COC1(Cc2ccc(OC(F)(F)F)cc2)CCC(C(C)C)CC1.COC1(Cc2cccc(C(F)(F)F)c2)CCC(C(C)C)CC1.COC1(Cc2cccc(Cl)c2F)CCC(C(C)C)CC1.COC1(Cc2cccc(OC(F)(F)F)c2)CCC(C(C)C)CC1.COC1(Cc2ccccn2)CCC(C(C)C)CC1.COC1(Cc2cccnc2)CCC(C(C)C)CC1.COC1(Cc2ccncc2)CCC(C(C)C)CC1.COc1cccc(CC2(OC)CCC(C(C)C)CC2)c1
InChIInChI=1S/C20H32O.2C19H30O.2C18H25F3O2.C18H25F3O.C18H28O2.C17H24Cl2O.C17H24ClFO.C17H23F3O.3C16H25NO/c1-14(2)18-7-9-20(21-6,10-8-18)13-19-16(4)11-15(3)12-17(19)5;1-14(2)18-8-10-19(20-5,11-9-18)13-17-7-6-15(3)16(4)12-17;1-14(2)17-8-10-19(20-5,11-9-17)13-18-7-6-15(3)12-16(18)4;1-13(2)15-8-10-17(22-3,11-9-15)12-14-4-6-16(7-5-14)23-18(19,20)21;1-13(2)15-7-9-17(22-3,10-8-15)12-14-5-4-6-16(11-14)23-18(19,20)21;1-13(2)15-7-9-17(22-3,10-8-15)12-14-5-4-6-16(11-14)18(19,20)21;1-14(2)16-8-10-18(20-4,11-9-16)13-15-6-5-7-17(12-15)19-3;1-12(2)13-6-8-17(20-3,9-7-13)11-14-4-5-15(18)10-16(14)19;1-12(2)13-7-9-17(20-3,10-8-13)11-14-5-4-6-15(18)16(14)19;1-11(2)12-6-8-17(21-3,9-7-12)10-13-4-5-14(18)16(20)15(13)19;1-13(2)15-4-8-16(18-3,9-5-15)12-14-6-10-17-11-7-14;1-13(2)15-6-8-16(18-3,9-7-15)11-14-5-4-10-17-12-14;1-13(2)14-7-9-16(18-3,10-8-14)12-15-6-4-5-11-17-15/h11-12,14,18H,7-10,13H2,1-6H3;6-7,12,14,18H,8-11,13H2,1-5H3;6-7,12,14,17H,8-11,13H2,1-5H3;4-7,13,15H,8-12H2,1-3H3;4-6,11,13,15H,7-10,12H2,1-3H3;4-6,11,13,15H,7-10,12H2,1-3H3;5-7,12,14,16H,8-11,13H2,1-4H3;4-5,10,12-13H,6-9,11H2,1-3H3;4-6,12-13H,7-11H2,1-3H3;4-5,11-12H,6-10H2,1-3H3;6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyAEMIYOQLJWITCQ-UHFFFAOYSA-N
MW3745.58 g/mol
LogP63.67
Rot. Bonds55

About 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene

1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene (PubChem CID 157089441) has the molecular formula C229H341Cl3F13N3O16 and a molecular weight of 3745.58 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
PubChem CID157089441
Molecular FormulaC229H341Cl3F13N3O16
Molecular Weight3745.58 g/mol
Exact Mass3741.48
IUPAC Name1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
SMILESCOC1(Cc2c(C)cc(C)cc2C)CCC(C(C)C)CC1.COC1(Cc2ccc(C)c(C)c2)CCC(C(C)C)CC1.COC1(Cc2ccc(C)cc2C)CCC(C(C)C)CC1.COC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)C)CC1.COC1(Cc2ccc(F)c(F)c2F)CCC(C(C)C)CC1.COC1(Cc2ccc(OC(F)(F)F)cc2)CCC(C(C)C)CC1.COC1(Cc2cccc(C(F)(F)F)c2)CCC(C(C)C)CC1.COC1(Cc2cccc(Cl)c2F)CCC(C(C)C)CC1.COC1(Cc2cccc(OC(F)(F)F)c2)CCC(C(C)C)CC1.COC1(Cc2ccccn2)CCC(C(C)C)CC1.COC1(Cc2cccnc2)CCC(C(C)C)CC1.COC1(Cc2ccncc2)CCC(C(C)C)CC1.COc1cccc(CC2(OC)CCC(C(C)C)CC2)c1
InChIInChI=1S/C20H32O.2C19H30O.2C18H25F3O2.C18H25F3O.C18H28O2.C17H24Cl2O.C17H24ClFO.C17H23F3O.3C16H25NO/c1-14(2)18-7-9-20(21-6,10-8-18)13-19-16(4)11-15(3)12-17(19)5;1-14(2)18-8-10-19(20-5,11-9-18)13-17-7-6-15(3)16(4)12-17;1-14(2)17-8-10-19(20-5,11-9-17)13-18-7-6-15(3)12-16(18)4;1-13(2)15-8-10-17(22-3,11-9-15)12-14-4-6-16(7-5-14)23-18(19,20)21;1-13(2)15-7-9-17(22-3,10-8-15)12-14-5-4-6-16(11-14)23-18(19,20)21;1-13(2)15-7-9-17(22-3,10-8-15)12-14-5-4-6-16(11-14)18(19,20)21;1-14(2)16-8-10-18(20-4,11-9-16)13-15-6-5-7-17(12-15)19-3;1-12(2)13-6-8-17(20-3,9-7-13)11-14-4-5-15(18)10-16(14)19;1-12(2)13-7-9-17(20-3,10-8-13)11-14-5-4-6-15(18)16(14)19;1-11(2)12-6-8-17(21-3,9-7-12)10-13-4-5-14(18)16(20)15(13)19;1-13(2)15-4-8-16(18-3,9-5-15)12-14-6-10-17-11-7-14;1-13(2)15-6-8-16(18-3,9-7-15)11-14-5-4-10-17-12-14;1-13(2)14-7-9-16(18-3,10-8-14)12-15-6-4-5-11-17-15/h11-12,14,18H,7-10,13H2,1-6H3;6-7,12,14,18H,8-11,13H2,1-5H3;6-7,12,14,17H,8-11,13H2,1-5H3;4-7,13,15H,8-12H2,1-3H3;4-6,11,13,15H,7-10,12H2,1-3H3;4-6,11,13,15H,7-10,12H2,1-3H3;5-7,12,14,16H,8-11,13H2,1-4H3;4-5,10,12-13H,6-9,11H2,1-3H3;4-6,12-13H,7-11H2,1-3H3;4-5,11-12H,6-10H2,1-3H3;6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyAEMIYOQLJWITCQ-UHFFFAOYSA-N
XLogP63.67
TPSA186.35 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds55
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003745.58
LogP ≤ 563.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene with MolForge

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Related Compounds

1-Chloro-4-fluoro-2-methyl-5-propan-2-ylbenzene;2-chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157098408
1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2,4-dichloro-1-methylbenzene;1-fluoro-3-methylbenzene;methane;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;3-methylphenol;4-methylphenol;3-methylpyridine;4-methylpyridine;1-methyl-3-(trifluoromethyl)benzene;toluene;N,N,4-trimethylaniline;1,2-xylene;1,3-xylene;1,4-xylene
CID 157218310
1-Chloro-2,4-dimethylbenzene;1-(1,1-difluoroethyl)-4-methylbenzene;1,2-difluoro-3-methylbenzene;1-fluoro-2,4-dimethylbenzene;1-fluoro-2-methyl-4-(trifluoromethoxy)benzene;2-methylpyridine;3-methylpyridine;1-methyl-3-(trifluoromethoxy)benzene;toluene;1,4-xylene
CID 157262153
2-Chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-2-methyl-5-propan-2-ylpyridine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;2-methoxy-1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-methyl-4-propan-2-ylbenzonitrile;2-methyl-5-propan-2-ylbenzonitrile;1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene;2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157428279
2-Chloro-3-fluoro-1-methyl-4-propan-2-ylbenzene;2-chloro-5-fluoro-4-propan-2-ylbenzonitrile;2-chloro-1-methyl-4-propan-2-ylbenzene;3-chloro-5-propan-2-ylpyridine-2-carbonitrile;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-methyl-4-propan-2-ylbenzene;methane;2-methoxy-1-methyl-4-propan-2-ylbenzene;bis(1-methyl-4-propan-2-yl-2-(trifluoromethyl)benzene);2-methyl-5-propan-2-yl-3-(trifluoromethyl)pyridine;4-propan-2-ylbenzonitrile
CID 157515403
1-chloro-3-(2,2-dimethyl-1-phenylpropyl)benzene;1-chloro-2-[(1S)-2-methyl-1-phenylpropyl]benzene;1-chloro-2-[(1R)-2-methyl-1-phenylpropyl]benzene;bis(1,3-dichloro-5-(2,2-dimethylpentan-3-yl)benzene);1-(3,3-dimethylbutan-2-yl)-4-(trifluoromethoxy)benzene;1-(2,2-dimethyl-1-phenylpropyl)-3-fluorobenzene;4-(2,2-dimethylpropyl)-1,2-difluorobenzene;1-(2,2-dimethylpropyl)-4-fluorobenzene;4-[(1S)-2-methyl-1-phenylpropyl]pyridine;4-[(1R)-2-methyl-1-phenylpropyl]pyridine;1-(2-methylpropyl)-2-(trifluoromethyl)benzene
CID 157688431
1-Tert-butyl-4-(4-tert-butylphenyl)benzene;4-tert-butyl-1-(4-tert-butylphenyl)-2-chlorobenzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-fluorobenzene;4-tert-butyl-1-(4-tert-butylphenyl)-2-fluorobenzene;1-tert-butyl-4-(4-tert-butylphenyl)-2-methoxybenzene;4-tert-butyl-1-(4-tert-butylphenyl)-2-methoxybenzene;bis(1-tert-butyl-4-(4-tert-butylphenyl)-2-methylbenzene);4-tert-butyl-1-(4-tert-butylphenyl)-2-methylbenzene;5-tert-butyl-2-(4-tert-butylphenyl)pyridine;4-tert-butyl-1-(4-tert-butylphenyl)-2-(trifluoromethyl)benzene
CID 157917572
1-Tert-butyl-2-chlorobenzene;4-tert-butyl-2-fluoro-1-(methoxymethyl)benzene;4-tert-butyl-2-fluoro-1-propan-2-yloxybenzene;5-tert-butyl-2-(2-methylpropoxy)pyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157995504
CID 158213731
CID 158213731
1-[(3-chloro-2-fluorophenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-1-(oxan-4-ylmethyl)-4-propan-2-ylcyclohexan-1-amine;1-[(3,4-dimethylphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-2-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-3-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,3,4-trifluorophenyl)methyl]cyclohexan-1-amine;N,N-dimethyl-4-propan-2-yl-1-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine;1-methoxy-4-[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene;1-[(3-methoxyphenyl)methyl]-N,N-dimethyl-4-propan-2-ylcyclohexan-1-amine;[(E)-2-(1-methyl-4-propan-2-ylcyclohexyl)ethenyl]benzene
CID 158435920
2-Chloro-4-fluoro-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-hydroxy-3-propan-2-ylpyridin-1-ium;1-methoxy-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylpyridine;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 158447512
7-Chloro-3-methyl-8-propan-2-ylquinoline;4-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;1,2-dimethyl-3-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;bis(1,4-dimethyl-2-propan-2-ylbenzene);1-fluoro-2-methyl-3-propan-2-ylbenzene;bis(1-fluoro-3-methyl-2-propan-2-ylbenzene);2-fluoro-6-propan-2-ylpyridine;1-methoxy-2,5-dimethyl-4-propan-2-ylbenzene;1-methoxy-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;2-phenyl-6-propan-2-ylpyridine;2-propan-2-ylquinoline;2-propan-2-yl-4-(trifluoromethyl)pyridine
CID 158528158

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene (CID 157089441) is 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene is COC1(Cc2c(C)cc(C)cc2C)CCC(C(C)C)CC1.COC1(Cc2ccc(C)c(C)c2)CCC(C(C)C)CC1.COC1(Cc2ccc(C)cc2C)CCC(C(C)C)CC1.COC1(Cc2ccc(Cl)cc2Cl)CCC(C(C)C)CC1.COC1(Cc2ccc(F)c(F)c2F)CCC(C(C)C)CC1.COC1(Cc2ccc(OC(F)(F)F)cc2)CCC(C(C)C)CC1.COC1(Cc2cccc(C(F)(F)F)c2)CCC(C(C)C)CC1.COC1(Cc2cccc(Cl)c2F)CCC(C(C)C)CC1.COC1(Cc2cccc(OC(F)(F)F)c2)CCC(C(C)C)CC1.COC1(Cc2ccccn2)CCC(C(C)C)CC1.COC1(Cc2cccnc2)CCC(C(C)C)CC1.COC1(Cc2ccncc2)CCC(C(C)C)CC1.COc1cccc(CC2(OC)CCC(C(C)C)CC2)c1.
What is the InChIKey of 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
The InChIKey is AEMIYOQLJWITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O.2C19H30O.2C18H25F3O2.C18H25F3O.C18H28O2.C17H24Cl2O.C17H24ClFO.C17H23F3O.3C16H25NO/c1-14(2)18-7-9-20(21-6,10-8-18)13-19-16(4)11-15(3)12-17(19)5;1-14(2)18-8-10-19(20-5,11-9-18)13-17-7-6-15(3)16(4)12-17;1-14(2)17-8-10-19(20-5,11-9-17)13-18-7-6-15(3)12-16(18)4;1-13(2)15-8-10-17(22-3,11-9-15)12-14-4-6-16(7-5-14)23-18(19,20)21;1-13(2)15-7-9-17(22-3,10-8-15)12-14-5-4-6-16(11-14)23-18(19,20)21;1-13(2)15-7-9-17(22-3,10-8-15)12-14-5-4-6-16(11-14)18(19,20)21;1-14(2)16-8-10-18(20-4,11-9-16)13-15-6-5-7-17(12-15)19-3;1-12(2)13-6-8-17(20-3,9-7-13)11-14-4-5-15(18)10-16(14)19;1-12(2)13-7-9-17(20-3,10-8-13)11-14-5-4-6-15(18)16(14)19;1-11(2)12-6-8-17(21-3,9-7-12)10-13-4-5-14(18)16(20)15(13)19;1-13(2)15-4-8-16(18-3,9-5-15)12-14-6-10-17-11-7-14;1-13(2)15-6-8-16(18-3,9-7-15)11-14-5-4-10-17-12-14;1-13(2)14-7-9-16(18-3,10-8-14)12-15-6-4-5-11-17-15/h11-12,14,18H,7-10,13H2,1-6H3;6-7,12,14,18H,8-11,13H2,1-5H3;6-7,12,14,17H,8-11,13H2,1-5H3;4-7,13,15H,8-12H2,1-3H3;4-6,11,13,15H,7-10,12H2,1-3H3;4-6,11,13,15H,7-10,12H2,1-3H3;5-7,12,14,16H,8-11,13H2,1-4H3;4-5,10,12-13H,6-9,11H2,1-3H3;4-6,12-13H,7-11H2,1-3H3;4-5,11-12H,6-10H2,1-3H3;6-7,10-11,13,15H,4-5,8-9,12H2,1-3H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-6,11,13-14H,7-10,12H2,1-3H3.
What are the key properties of 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene?
1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene has a molecular weight of 3745.58 g/mol, XLogP of 63.67, 55 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;2,4-dichloro-1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-methoxy-3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-2,4-dimethylbenzene;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,2-dimethylbenzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;3-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]pyridine;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-4-(trifluoromethoxy)benzene;1-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-3-(trifluoromethyl)benzene;2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]-1,3,5-trimethylbenzene;1,2,3-trifluoro-4-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene is sourced from PubChem (CID 157089441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).