(4-chlorophenyl)-cyclohexylmethanamine

C13H18ClN — CID 12559039

IUPAC(4-chlorophenyl)-cyclohexylmethanamine
SMILESNC(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H18ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2
InChIKeyLZYLPAUOFHPWCE-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.92
Rot. Bonds2

About (4-chlorophenyl)-cyclohexylmethanamine

(4-chlorophenyl)-cyclohexylmethanamine (PubChem CID 12559039) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is (4-chlorophenyl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-cyclohexylmethanamine
PubChem CID12559039
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name(4-chlorophenyl)-cyclohexylmethanamine
SMILESNC(c1ccc(Cl)cc1)C1CCCCC1
InChIInChI=1S/C13H18ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2
InChIKeyLZYLPAUOFHPWCE-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
(3-chloro-4-fluorophenyl)-cyclohexylmethanamine
CID 63093302
cyclohexyl-(3,5-dichlorophenyl)methanamine
CID 114981427
(R)-cyclohexyl-(4-iodophenyl)methanamine
CID 171202889
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
cyclohexyl(phenyl)methanamine
CID 11064121
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(S)-(3-chloro-4-methylphenyl)-cyclohexylmethanamine
CID 171224008
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(S)-(3-bromo-4-chlorophenyl)-cyclohexylmethanamine
CID 171222570
cyclopentyl-(4-phenylphenyl)methanamine
CID 43098534
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-cyclohexylmethanamine?
The IUPAC name of (4-chlorophenyl)-cyclohexylmethanamine (CID 12559039) is (4-chlorophenyl)-cyclohexylmethanamine.
What is the SMILES notation for (4-chlorophenyl)-cyclohexylmethanamine?
The canonical SMILES for (4-chlorophenyl)-cyclohexylmethanamine is NC(c1ccc(Cl)cc1)C1CCCCC1.
What is the InChIKey of (4-chlorophenyl)-cyclohexylmethanamine?
The InChIKey is LZYLPAUOFHPWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10,13H,1-5,15H2.
What are the key properties of (4-chlorophenyl)-cyclohexylmethanamine?
(4-chlorophenyl)-cyclohexylmethanamine has a molecular weight of 223.75 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-cyclohexylmethanamine is sourced from PubChem (CID 12559039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).