1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol

C23H30ClNO2 — CID 23105696

IUPAC1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1cccc(CC2CCC(O)(c3cccc(Cl)c3)C(CN(C)C)C2)c1
InChIInChI=1S/C23H30ClNO2/c1-25(2)16-20-13-18(12-17-6-4-9-22(14-17)27-3)10-11-23(20,26)19-7-5-8-21(24)15-19/h4-9,14-15,18,20,26H,10-13,16H2,1-3H3
InChIKeyOYHGZCPSHWTIMK-UHFFFAOYSA-N
MW387.95 g/mol
LogP4.76
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol

1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol (PubChem CID 23105696) has the molecular formula C23H30ClNO2 and a molecular weight of 387.95 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
PubChem CID23105696
Molecular FormulaC23H30ClNO2
Molecular Weight387.95 g/mol
Exact Mass387.20
IUPAC Name1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
SMILESCOc1cccc(CC2CCC(O)(c3cccc(Cl)c3)C(CN(C)C)C2)c1
InChIInChI=1S/C23H30ClNO2/c1-25(2)16-20-13-18(12-17-6-4-9-22(14-17)27-3)10-11-23(20,26)19-7-5-8-21(24)15-19/h4-9,14-15,18,20,26H,10-13,16H2,1-3H3
InChIKeyOYHGZCPSHWTIMK-UHFFFAOYSA-N
XLogP4.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.95
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105737
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)-4-[(4-methylphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 18980478
1-benzyl-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 23105795
1-(3-chloro-4-fluorophenyl)-4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]cyclohexan-1-ol
CID 23105735
4-benzylsulfonyl-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 156703355
cis-(1S,2S)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol;hydrochloride
CID 10017651
2-(3-chlorophenyl)-1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 163838480
2-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-(2-phenylethyl)cyclohexan-1-ol
CID 10270341
2-[(dimethylamino)methyl]-4-[(4-methylphenyl)methyl]-1-phenylcyclohexan-1-ol
CID 140978350
[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)cyclohexyl] cyclopentanecarboxylate
CID 69135557
2-[(dimethylamino)methyl]-5-[(3-methoxyphenyl)methyl]-1-(3-methylphenyl)cyclopentan-1-ol
CID 22642997
1-[(3-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-4-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 23105745

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol (CID 23105696) is 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol is COc1cccc(CC2CCC(O)(c3cccc(Cl)c3)C(CN(C)C)C2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
The InChIKey is OYHGZCPSHWTIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClNO2/c1-25(2)16-20-13-18(12-17-6-4-9-22(14-17)27-3)10-11-23(20,26)19-7-5-8-21(24)15-19/h4-9,14-15,18,20,26H,10-13,16H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol?
1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol has a molecular weight of 387.95 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(dimethylamino)methyl]-4-[(3-methoxyphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).