3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol

C16H24ClNO — CID 43751031

IUPAC3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
SMILESCCCC(NC1CCCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-4-16(12-7-9-13(17)10-8-12)18-14-5-3-6-15(19)11-14/h7-10,14-16,18-19H,2-6,11H2,1H3
InChIKeySOPJJGPHSIEOKW-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.07
Rot. Bonds5

About 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol

3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol (PubChem CID 43751031) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
PubChem CID43751031
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
SMILESCCCC(NC1CCCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-4-16(12-7-9-13(17)10-8-12)18-14-5-3-6-15(19)11-14/h7-10,14-16,18-19H,2-6,11H2,1H3
InChIKeySOPJJGPHSIEOKW-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)propyl]cyclopentanamine
CID 43102155
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 43751330
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]cyclohexan-1-ol
CID 43792315
N-[1-(4-chlorophenyl)propyl]cycloheptanamine
CID 43109081
N-[1-(4-chlorophenyl)butyl]thiolan-3-amine
CID 103902650
N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
CID 64909731
3-[1-(4-propan-2-ylphenyl)ethylamino]cyclohexan-1-ol
CID 43751281
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
N-[1-(4-chlorophenyl)propyl]-1-ethylpiperidin-3-amine
CID 61171924
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
N-[1-(4-chlorophenyl)butyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43101797
N-[1-(4-chlorophenyl)propyl]-4-propan-2-ylcyclohexan-1-amine
CID 63431802

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol (CID 43751031) is 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol is CCCC(NC1CCCC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol?
The InChIKey is SOPJJGPHSIEOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-4-16(12-7-9-13(17)10-8-12)18-14-5-3-6-15(19)11-14/h7-10,14-16,18-19H,2-6,11H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol?
3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol has a molecular weight of 281.83 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).