2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol

C16H22ClNO — CID 62358659

IUPAC2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO/c17-13-7-5-11(6-8-13)12-9-14(10-12)18-15-3-1-2-4-16(15)19/h5-8,12,14-16,18-19H,1-4,9-10H2
InChIKeyPXKMTNWJIVIZDC-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.48
Rot. Bonds3

About 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol

2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol (PubChem CID 62358659) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol
PubChem CID62358659
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H22ClNO/c17-13-7-5-11(6-8-13)12-9-14(10-12)18-15-3-1-2-4-16(15)19/h5-8,12,14-16,18-19H,1-4,9-10H2
InChIKeyPXKMTNWJIVIZDC-UHFFFAOYSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(3-methylphenyl)cyclobutyl]amino]cyclohexan-1-ol
CID 62358842
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 62318692
N-[3-(4-chlorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715069
N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine
CID 79861143
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
CID 83007014
cis-(1S,2R)-2-(cyclobutylamino)cyclohexan-1-ol
CID 94414916
trans-(1R,2R)-2-(cyclopentylamino)cycloheptan-1-ol
CID 93383696
3-(4-chlorophenyl)-N-(2-cyclohexylethyl)cyclobutan-1-amine
CID 63448300
2-methyl-N-(3-phenylcyclobutyl)cyclohexan-1-amine
CID 43632161
trans-(1S,2R)-2-(4-chlorophenyl)cyclohexan-1-ol
CID 94503733
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol (CID 62358659) is 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol is OC1CCCCC1NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
The InChIKey is PXKMTNWJIVIZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-13-7-5-11(6-8-13)12-9-14(10-12)18-15-3-1-2-4-16(15)19/h5-8,12,14-16,18-19H,1-4,9-10H2.
What are the key properties of 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol?
2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol has a molecular weight of 279.81 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 62358659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).