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

C23H36ClNO — CID 23105791

IUPAC4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CC1CCCCC1
InChIInChI=1S/C23H36ClNO/c1-25(2)17-21-15-20(14-18-8-10-22(24)11-9-18)12-13-23(21,26)16-19-6-4-3-5-7-19/h8-11,19-21,26H,3-7,12-17H2,1-2H3
InChIKeyOLBGSSFUFJODJN-UHFFFAOYSA-N
MW378.00 g/mol
LogP5.56
Rot. Bonds6

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

4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 23105791) has the molecular formula C23H36ClNO and a molecular weight of 378.00 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID23105791
Molecular FormulaC23H36ClNO
Molecular Weight378.00 g/mol
Exact Mass377.25
IUPAC Name4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CC1CCCCC1
InChIInChI=1S/C23H36ClNO/c1-25(2)17-21-15-20(14-18-8-10-22(24)11-9-18)12-13-23(21,26)16-19-6-4-3-5-7-19/h8-11,19-21,26H,3-7,12-17H2,1-2H3
InChIKeyOLBGSSFUFJODJN-UHFFFAOYSA-N
XLogP5.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.00
LogP ≤ 55.56
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]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 23105791) is 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CC1CCCCC1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is OLBGSSFUFJODJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36ClNO/c1-25(2)17-21-15-20(14-18-8-10-22(24)11-9-18)12-13-23(21,26)16-19-6-4-3-5-7-19/h8-11,19-21,26H,3-7,12-17H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
4-[(4-chlorophenyl)methyl]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 378.00 g/mol, XLogP of 5.56, 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]-1-(cyclohexylmethyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 23105791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).