1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

C16H24ClNO — CID 10265758

IUPAC1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
InChIKeyZUFCXVFSSJFSOT-UHFFFAOYSA-N
MW281.83 g/mol
LogP3.68
Rot. Bonds4

About 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol

1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (PubChem CID 10265758) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
PubChem CID10265758
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol
SMILESCN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1
InChIInChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
InChIKeyZUFCXVFSSJFSOT-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol (CID 10265758) is 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is CN(C)CC(c1cccc(Cl)c1)C1(O)CCCCC1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
The InChIKey is ZUFCXVFSSJFSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol?
1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-2-(dimethylamino)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 10265758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).