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

C15H22ClNO — CID 68675092

IUPAC2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)cc2)CCCCC1O
InChIInChI=1S/C15H22ClNO/c1-17(2)11-15(10-4-3-5-14(15)18)12-6-8-13(16)9-7-12/h6-9,14,18H,3-5,10-11H2,1-2H3
InChIKeyNYDHDNFMMOXOFY-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.07
Rot. Bonds3

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

2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (PubChem CID 68675092) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
PubChem CID68675092
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol
SMILESCN(C)CC1(c2ccc(Cl)cc2)CCCCC1O
InChIInChI=1S/C15H22ClNO/c1-17(2)11-15(10-4-3-5-14(15)18)12-6-8-13(16)9-7-12/h6-9,14,18H,3-5,10-11H2,1-2H3
InChIKeyNYDHDNFMMOXOFY-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol (CID 68675092) is 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is CN(C)CC1(c2ccc(Cl)cc2)CCCCC1O.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
The InChIKey is NYDHDNFMMOXOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-17(2)11-15(10-4-3-5-14(15)18)12-6-8-13(16)9-7-12/h6-9,14,18H,3-5,10-11H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol?
2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 68675092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).