3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol

C15H22ClNO — CID 43751330

IUPAC3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
SMILESCCC(NC1CCCC(O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-2-15(11-5-3-6-12(16)9-11)17-13-7-4-8-14(18)10-13/h3,5-6,9,13-15,17-18H,2,4,7-8,10H2,1H3
InChIKeyXAUYGRVBOYIAHL-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.68
Rot. Bonds4

About 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol

3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol (PubChem CID 43751330) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
PubChem CID43751330
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
SMILESCCC(NC1CCCC(O)C1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-2-15(11-5-3-6-12(16)9-11)17-13-7-4-8-14(18)10-13/h3,5-6,9,13-15,17-18H,2,4,7-8,10H2,1H3
InChIKeyXAUYGRVBOYIAHL-UHFFFAOYSA-N
XLogP3.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)propylamino]cyclohexane-1-carboxylic acid
CID 65066383
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100
N-[1-(3-chlorophenyl)propyl]thian-3-amine
CID 62873445
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
CID 64762199
N-[1-(3-chlorophenyl)propyl]-1-methylpiperidin-4-amine
CID 43373395
3-[1-(4-chlorophenyl)butylamino]cyclohexan-1-ol
CID 43751031
N-[1-(3-chlorophenyl)propyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998685
2-[1-(3-chlorophenyl)propylamino]cyclopentane-1-carbonitrile
CID 55151786
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol?
The IUPAC name of 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol (CID 43751330) is 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol is CCC(NC1CCCC(O)C1)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol?
The InChIKey is XAUYGRVBOYIAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-15(11-5-3-6-12(16)9-11)17-13-7-4-8-14(18)10-13/h3,5-6,9,13-15,17-18H,2,4,7-8,10H2,1H3.
What are the key properties of 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol?
3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol is sourced from PubChem (CID 43751330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).