4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol

C15H22ClNO — CID 12711949

IUPAC4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(C)(O)CC1
InChIInChI=1S/C15H22ClNO/c1-14(18)8-10-15(11-9-14,17(2)3)12-4-6-13(16)7-5-12/h4-7,18H,8-11H2,1-3H3
InChIKeyXEJWVILHWCEKPO-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.42
Rot. Bonds2

About 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol

4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol (PubChem CID 12711949) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol
PubChem CID12711949
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol
SMILESCN(C)C1(c2ccc(Cl)cc2)CCC(C)(O)CC1
InChIInChI=1S/C15H22ClNO/c1-14(18)8-10-15(11-9-14,17(2)3)12-4-6-13(16)7-5-12/h4-7,18H,8-11H2,1-3H3
InChIKeyXEJWVILHWCEKPO-UHFFFAOYSA-N
XLogP3.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Dimethylamino)-4-phenyl-1-(2-phenylethyl)cyclohexan-1-ol;hydrochloride
CID 10109139
1-Benzyl-4-(dimethylamino)-4-phenylcyclohexan-1-ol;hydrochloride
CID 118711155
4-(4-Chlorophenyl)-4-(dimethylamino)-1-(2-phenylethyl)cyclohexan-1-ol
CID 10135240
4-(Dimethylamino)-1-methyl-4-(4-methylphenyl)cyclohexan-1-ol
CID 12711968
4-(4-Chlorophenyl)-1-(2-cyclopentylethyl)-4-(dimethylamino)cyclohexan-1-ol
CID 12711973
4-Dimethylamino-4-(p-chlorophenyl)cyclohexanol
CID 12711983
4-(4-Chlorophenyl)-4-(dimethylamino)-1-prop-2-enylcyclohexan-1-ol
CID 12711951
4-(4-Chlorophenyl)-4-(dimethylamino)-1-propylcyclohexan-1-ol
CID 12711953
1-Benzyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
CID 12711955
4-(4-Chlorophenyl)-4-(dimethylamino)-1-(3-phenylpropyl)cyclohexan-1-ol
CID 12711957
4-(4-Chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(dimethylamino)cyclohexan-1-ol
CID 12711959
1-But-3-enyl-4-(4-chlorophenyl)-4-(dimethylamino)cyclohexan-1-ol
CID 12711961

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol?
The IUPAC name of 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol (CID 12711949) is 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol?
The canonical SMILES for 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol is CN(C)C1(c2ccc(Cl)cc2)CCC(C)(O)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol?
The InChIKey is XEJWVILHWCEKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-14(18)8-10-15(11-9-14,17(2)3)12-4-6-13(16)7-5-12/h4-7,18H,8-11H2,1-3H3.
What are the key properties of 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol?
4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-(dimethylamino)-1-methylcyclohexan-1-ol is sourced from PubChem (CID 12711949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).