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

C24H32ClNO — CID 23105878

IUPAC4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CCc1ccccc1
InChIInChI=1S/C24H32ClNO/c1-26(2)18-22-17-21(16-20-8-10-23(25)11-9-20)13-15-24(22,27)14-12-19-6-4-3-5-7-19/h3-11,21-22,27H,12-18H2,1-2H3
InChIKeyKRZYLAISPONAHC-UHFFFAOYSA-N
MW385.98 g/mol
LogP5.22
Rot. Bonds7

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

4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (PubChem CID 23105878) 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-phenylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
PubChem CID23105878
Molecular FormulaC24H32ClNO
Molecular Weight385.98 g/mol
Exact Mass385.22
IUPAC Name4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol
SMILESCN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CCc1ccccc1
InChIInChI=1S/C24H32ClNO/c1-26(2)18-22-17-21(16-20-8-10-23(25)11-9-20)13-15-24(22,27)14-12-19-6-4-3-5-7-19/h3-11,21-22,27H,12-18H2,1-2H3
InChIKeyKRZYLAISPONAHC-UHFFFAOYSA-N
XLogP5.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.98
LogP ≤ 55.22
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-phenylethyl)cyclohexan-1-ol?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol (CID 23105878) is 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol is CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CCc1ccccc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
The InChIKey is KRZYLAISPONAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClNO/c1-26(2)18-22-17-21(16-20-8-10-23(25)11-9-20)13-15-24(22,27)14-12-19-6-4-3-5-7-19/h3-11,21-22,27H,12-18H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol?
4-[(4-chlorophenyl)methyl]-2-[(dimethylamino)methyl]-1-(2-phenylethyl)cyclohexan-1-ol has a molecular weight of 385.98 g/mol, XLogP of 5.22, 7 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-phenylethyl)cyclohexan-1-ol is sourced from PubChem (CID 23105878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).