2-[(4-chlorophenyl)methyl]cyclohexan-1-amine

C13H18ClN — CID 61382478

IUPAC2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-8,11,13H,1-4,9,15H2
InChIKeyXYIVOVSWBGNUHY-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.40
Rot. Bonds2

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

2-[(4-chlorophenyl)methyl]cyclohexan-1-amine (PubChem CID 61382478) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
PubChem CID61382478
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name2-[(4-chlorophenyl)methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-8,11,13H,1-4,9,15H2
InChIKeyXYIVOVSWBGNUHY-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 162338619
CID 162338619
cis-(1R,2S)-2-[(4-fluorophenyl)methyl]cyclopentan-1-amine
CID 92754817
cis-(1R,2R)-2-[3-(4-chlorophenyl)propyl]cyclopentan-1-amine
CID 91570525
3-[(4-chlorophenyl)methyl]oxan-4-amine;hydrochloride
CID 118991797
(1R,2R,4S)-2-[(4-chlorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 99949065
cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
CID 23587488
2-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]cyclohexan-1-amine
CID 82185958
cis-(1R,2S)-2-(1,3-benzodioxol-5-ylmethyl)cyclohexan-1-amine
CID 10633393
2-[(4-methoxy-3-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 82485335
1-N-[(4-chlorophenyl)methyl]cyclopentane-1,2-diamine
CID 115117343
2-(furan-3-ylmethyl)cyclopentan-1-amine
CID 83173123
2-[(3,4-difluorophenyl)methyl]cyclobutan-1-amine
CID 82935009

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine (CID 61382478) is 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine is NC1CCCCC1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine?
The InChIKey is XYIVOVSWBGNUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h5-8,11,13H,1-4,9,15H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine?
2-[(4-chlorophenyl)methyl]cyclohexan-1-amine has a molecular weight of 223.75 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 61382478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).