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

C24H32ClNO — CID 23105754

IUPAC4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccccc1CC1(O)CCC(Cc2ccc(Cl)cc2)CC1CN(C)C
InChIInChI=1S/C24H32ClNO/c1-18-6-4-5-7-21(18)16-24(27)13-12-20(15-22(24)17-26(2)3)14-19-8-10-23(25)11-9-19/h4-11,20,22,27H,12-17H2,1-3H3
InChIKeyZYXIFVHVWMRHQU-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.14
Rot. Bonds6

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

4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol (PubChem CID 23105754) has the molecular formula C24H32ClNO and a molecular weight of 385.98 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol
PubChem CID23105754
Molecular FormulaC24H32ClNO
Molecular Weight385.98 g/mol
Exact Mass385.22
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol
SMILESCc1ccccc1CC1(O)CCC(Cc2ccc(Cl)cc2)CC1CN(C)C
InChIInChI=1S/C24H32ClNO/c1-18-6-4-5-7-21(18)16-24(27)13-12-20(15-22(24)17-26(2)3)14-19-8-10-23(25)11-9-19/h4-11,20,22,27H,12-17H2,1-3H3
InChIKeyZYXIFVHVWMRHQU-UHFFFAOYSA-N
XLogP5.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol (CID 23105754) is 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol is Cc1ccccc1CC1(O)CCC(Cc2ccc(Cl)cc2)CC1CN(C)C.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol?
The InChIKey is ZYXIFVHVWMRHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO/c1-18-6-4-5-7-21(18)16-24(27)13-12-20(15-22(24)17-26(2)3)14-19-8-10-23(25)11-9-19/h4-11,20,22,27H,12-17H2,1-3H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol?
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol has a molecular weight of 385.98 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-[(2-methylphenyl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).