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

C220H351ClF7N13O3 — CID 158435920

IUPAC1-[(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
SMILESCC(C)C1CCC(C)(/C=C/c2ccccc2)CC1.CC(C)C1CCC(CC2CCOCC2)(N(C)C)CC1.CC(C)C1CCC(Cc2ccc(F)c(F)c2F)(N(C)C)CC1.CC(C)C1CCC(Cc2cccc(C(F)(F)F)c2)(N(C)C)CC1.CC(C)C1CCC(Cc2cccc(Cl)c2F)(N(C)C)CC1.CC(C)C1CCC(Cc2ccccn2)(N(C)C)CC1.CC(C)C1CCC(Cc2cccnc2)(N(C)C)CC1.CC(C)C1CCC(Cc2ccncc2)(N(C)C)CC1.COc1ccc(/C=C/C2(C)CCC(C(C)C)CC2)cc1.COc1cccc(CC2(N(C)C)CCC(C(C)C)CC2)c1.Cc1cc(C)c(CC2(N(C)C)CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2(N(C)C)CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C21H35N.C20H33N.C19H28F3N.C19H31NO.C19H28O.C18H27ClFN.C18H26F3N.C18H26.3C17H28N2.C17H33NO/c1-15(2)19-8-10-21(11-9-19,22(6)7)14-20-17(4)12-16(3)13-18(20)5;1-15(2)19-9-11-20(12-10-19,21(5)6)14-18-8-7-16(3)17(4)13-18;1-14(2)16-8-10-18(11-9-16,23(3)4)13-15-6-5-7-17(12-15)19(20,21)22;1-15(2)17-9-11-19(12-10-17,20(3)4)14-16-7-6-8-18(13-16)21-5;1-15(2)17-10-13-19(3,14-11-17)12-9-16-5-7-18(20-4)8-6-16;1-13(2)14-8-10-18(11-9-14,21(3)4)12-15-6-5-7-16(19)17(15)20;1-12(2)13-7-9-18(10-8-13,22(3)4)11-14-5-6-15(19)17(21)16(14)20;1-15(2)17-10-13-18(3,14-11-17)12-9-16-7-5-4-6-8-16;1-14(2)16-5-9-17(10-6-16,19(3)4)13-15-7-11-18-12-8-15;1-14(2)16-7-9-17(10-8-16,19(3)4)12-15-6-5-11-18-13-15;1-14(2)15-8-10-17(11-9-15,19(3)4)13-16-7-5-6-12-18-16;1-14(2)16-5-9-17(10-6-16,18(3)4)13-15-7-11-19-12-8-15/h12-13,15,19H,8-11,14H2,1-7H3;7-8,13,15,19H,9-12,14H2,1-6H3;5-7,12,14,16H,8-11,13H2,1-4H3;6-8,13,15,17H,9-12,14H2,1-5H3;5-9,12,15,17H,10-11,13-14H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;4-9,12,15,17H,10-11,13-14H2,1-3H3;7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3;5-6,11,13-14,16H,7-10,12H2,1-4H3;5-7,12,14-15H,8-11,13H2,1-4H3;14-16H,5-13H2,1-4H3/b;;;;12-9+;;;12-9+;;;;
InChIKeyHCFIVFRHRQWBFQ-NZQCXWGUSA-N
MW3394.75 g/mol
LogP56.41
Rot. Bonds48

About 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

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 (PubChem CID 158435920) has the molecular formula C220H351ClF7N13O3 and a molecular weight of 3394.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID158435920
Molecular FormulaC220H351ClF7N13O3
Molecular Weight3394.75 g/mol
Exact Mass3391.73
IUPAC Name1-[(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
SMILESCC(C)C1CCC(C)(/C=C/c2ccccc2)CC1.CC(C)C1CCC(CC2CCOCC2)(N(C)C)CC1.CC(C)C1CCC(Cc2ccc(F)c(F)c2F)(N(C)C)CC1.CC(C)C1CCC(Cc2cccc(C(F)(F)F)c2)(N(C)C)CC1.CC(C)C1CCC(Cc2cccc(Cl)c2F)(N(C)C)CC1.CC(C)C1CCC(Cc2ccccn2)(N(C)C)CC1.CC(C)C1CCC(Cc2cccnc2)(N(C)C)CC1.CC(C)C1CCC(Cc2ccncc2)(N(C)C)CC1.COc1ccc(/C=C/C2(C)CCC(C(C)C)CC2)cc1.COc1cccc(CC2(N(C)C)CCC(C(C)C)CC2)c1.Cc1cc(C)c(CC2(N(C)C)CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2(N(C)C)CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C21H35N.C20H33N.C19H28F3N.C19H31NO.C19H28O.C18H27ClFN.C18H26F3N.C18H26.3C17H28N2.C17H33NO/c1-15(2)19-8-10-21(11-9-19,22(6)7)14-20-17(4)12-16(3)13-18(20)5;1-15(2)19-9-11-20(12-10-19,21(5)6)14-18-8-7-16(3)17(4)13-18;1-14(2)16-8-10-18(11-9-16,23(3)4)13-15-6-5-7-17(12-15)19(20,21)22;1-15(2)17-9-11-19(12-10-17,20(3)4)14-16-7-6-8-18(13-16)21-5;1-15(2)17-10-13-19(3,14-11-17)12-9-16-5-7-18(20-4)8-6-16;1-13(2)14-8-10-18(11-9-14,21(3)4)12-15-6-5-7-16(19)17(15)20;1-12(2)13-7-9-18(10-8-13,22(3)4)11-14-5-6-15(19)17(21)16(14)20;1-15(2)17-10-13-18(3,14-11-17)12-9-16-7-5-4-6-8-16;1-14(2)16-5-9-17(10-6-16,19(3)4)13-15-7-11-18-12-8-15;1-14(2)16-7-9-17(10-8-16,19(3)4)12-15-6-5-11-18-13-15;1-14(2)15-8-10-17(11-9-15,19(3)4)13-16-7-5-6-12-18-16;1-14(2)16-5-9-17(10-6-16,18(3)4)13-15-7-11-19-12-8-15/h12-13,15,19H,8-11,14H2,1-7H3;7-8,13,15,19H,9-12,14H2,1-6H3;5-7,12,14,16H,8-11,13H2,1-4H3;6-8,13,15,17H,9-12,14H2,1-5H3;5-9,12,15,17H,10-11,13-14H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;4-9,12,15,17H,10-11,13-14H2,1-3H3;7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3;5-6,11,13-14,16H,7-10,12H2,1-4H3;5-7,12,14-15H,8-11,13H2,1-4H3;14-16H,5-13H2,1-4H3/b;;;;12-9+;;;12-9+;;;;
InChIKeyHCFIVFRHRQWBFQ-NZQCXWGUSA-N
XLogP56.41
TPSA98.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003394.75
LogP ≤ 556.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

N-[[4-[3-chloro-4-[3-[6-methoxy-5-[(oxan-4-ylamino)methyl]-2-pyridinyl]-2-(trifluoromethyl)phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl]oxan-4-amine
CID 170697831
2-(5'-(Benzyloxy)-4,4'-di-tert-butyl-2'-(5-fluoropyridin-2-yl)-[1,1'-biphenyl]-2-yl)-3-fluoro-4-methylpyridine
CID 155908907
6,6'-(5,5'-Bis(benzyloxy)-4,4'-di-tert-butyl-[1,1'-biphenyl]-2,2'-diyl)bis(3-fluoropyridine)
CID 155908908
(2S)-1,2-bis(4-chlorophenyl)-N,N'-dimethyl-1,2-dipyridin-2-yl-N,N'-bis[[1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]ethane-1,2-diamine
CID 137423670
5-Chloro-2-[6-fluoro-2-[4-(pyridin-3-ylmethoxy)phenyl]-3-[4-(pyridin-4-ylmethoxy)phenyl]phenyl]pyridine
CID 141034041
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
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
tert-butylbenzene;2-tert-butylbenzonitrile;3-tert-butyl-2-chloropyridine;1-tert-butyl-2-(1,1-difluoroethoxy)benzene;2-tert-butyl-N,N-dimethylaniline;3-tert-butyl-N,N-dimethylaniline;4-tert-butyl-N,N-dimethylaniline;1-tert-butyl-4-ethylbenzene;1-tert-butyl-3-ethynylbenzene;1-tert-butyl-4-ethynylbenzene;4-tert-butyl-2-fluoropyridine;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;2-tert-butyl-6-methoxypyridine;4-tert-butyl-2-methylpyridine;3-tert-butylpyridine;1-tert-butyl-3-(trifluoromethoxy)benzene;1-tert-butyl-4-(trifluoromethoxy)benzene
CID 157160883
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
1-Chloro-4-methylbenzene;1,3-difluoro-5-methylbenzene;4,4-difluoro-1-methylpiperidine;1-fluoro-3-methylbenzene;1-fluoro-4-methylbenzene;methane;1-methoxy-4-methylbenzene;methylcyclohexane;4-methylmorpholine;4-methyloxane;3-methylpyridine;4-methylpyridine;1-methyl-4-(trifluoromethyl)benzene;toluene;1,2-xylene
CID 157393978
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
7-chloro-2-methyl-3,4-dihydro-1H-isoquinoline;2-(4-chlorophenyl)-4-methylmorpholine;7-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(3-fluorophenyl)-1-methylpiperidine;4-methyl-2-phenylmorpholine;1'-methylspiro[1,2-dihydroindene-3,4'-piperidine];1'-methylspiro[indene-1,4'-piperidine];2-methyl-7-(trifluoromethoxy)-3,4-dihydro-1H-isoquinoline;2-methyl-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline;6-methyl-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine;1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine
CID 157449104

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)C1CCC(C)(/C=C/c2ccccc2)CC1.CC(C)C1CCC(CC2CCOCC2)(N(C)C)CC1.CC(C)C1CCC(Cc2ccc(F)c(F)c2F)(N(C)C)CC1.CC(C)C1CCC(Cc2cccc(C(F)(F)F)c2)(N(C)C)CC1.CC(C)C1CCC(Cc2cccc(Cl)c2F)(N(C)C)CC1.CC(C)C1CCC(Cc2ccccn2)(N(C)C)CC1.CC(C)C1CCC(Cc2cccnc2)(N(C)C)CC1.CC(C)C1CCC(Cc2ccncc2)(N(C)C)CC1.COc1ccc(/C=C/C2(C)CCC(C(C)C)CC2)cc1.COc1cccc(CC2(N(C)C)CCC(C(C)C)CC2)c1.Cc1cc(C)c(CC2(N(C)C)CCC(C(C)C)CC2)c(C)c1.Cc1ccc(CC2(N(C)C)CCC(C(C)C)CC2)cc1C.
What is the InChIKey of 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?
The InChIKey is HCFIVFRHRQWBFQ-NZQCXWGUSA-N. The full InChI is InChI=1S/C21H35N.C20H33N.C19H28F3N.C19H31NO.C19H28O.C18H27ClFN.C18H26F3N.C18H26.3C17H28N2.C17H33NO/c1-15(2)19-8-10-21(11-9-19,22(6)7)14-20-17(4)12-16(3)13-18(20)5;1-15(2)19-9-11-20(12-10-19,21(5)6)14-18-8-7-16(3)17(4)13-18;1-14(2)16-8-10-18(11-9-16,23(3)4)13-15-6-5-7-17(12-15)19(20,21)22;1-15(2)17-9-11-19(12-10-17,20(3)4)14-16-7-6-8-18(13-16)21-5;1-15(2)17-10-13-19(3,14-11-17)12-9-16-5-7-18(20-4)8-6-16;1-13(2)14-8-10-18(11-9-14,21(3)4)12-15-6-5-7-16(19)17(15)20;1-12(2)13-7-9-18(10-8-13,22(3)4)11-14-5-6-15(19)17(21)16(14)20;1-15(2)17-10-13-18(3,14-11-17)12-9-16-7-5-4-6-8-16;1-14(2)16-5-9-17(10-6-16,19(3)4)13-15-7-11-18-12-8-15;1-14(2)16-7-9-17(10-8-16,19(3)4)12-15-6-5-11-18-13-15;1-14(2)15-8-10-17(11-9-15,19(3)4)13-16-7-5-6-12-18-16;1-14(2)16-5-9-17(10-6-16,18(3)4)13-15-7-11-19-12-8-15/h12-13,15,19H,8-11,14H2,1-7H3;7-8,13,15,19H,9-12,14H2,1-6H3;5-7,12,14,16H,8-11,13H2,1-4H3;6-8,13,15,17H,9-12,14H2,1-5H3;5-9,12,15,17H,10-11,13-14H2,1-4H3;5-7,13-14H,8-12H2,1-4H3;5-6,12-13H,7-11H2,1-4H3;4-9,12,15,17H,10-11,13-14H2,1-3H3;7-8,11-12,14,16H,5-6,9-10,13H2,1-4H3;5-6,11,13-14,16H,7-10,12H2,1-4H3;5-7,12,14-15H,8-11,13H2,1-4H3;14-16H,5-13H2,1-4H3/b;;;;12-9+;;;12-9+;;;;.
What are the key properties of 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?
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 has a molecular weight of 3394.75 g/mol, XLogP of 56.41, 48 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158435920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).