N-[(2-chlorophenyl)methyl]cyclohexanamine

C13H18ClN — CID 4722373

IUPACN-[(2-chlorophenyl)methyl]cyclohexanamine
SMILESClc1ccccc1CNC1CCCCC1
InChIInChI=1S/C13H18ClN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2
InChIKeyLMTAAEZJLLIHMH-UHFFFAOYSA-N
MW223.75 g/mol
LogP3.76
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]cyclohexanamine

N-[(2-chlorophenyl)methyl]cyclohexanamine (PubChem CID 4722373) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]cyclohexanamine
PubChem CID4722373
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC NameN-[(2-chlorophenyl)methyl]cyclohexanamine
SMILESClc1ccccc1CNC1CCCCC1
InChIInChI=1S/C13H18ClN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2
InChIKeyLMTAAEZJLLIHMH-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]cyclohexanamine (CID 4722373) is N-[(2-chlorophenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]cyclohexanamine is Clc1ccccc1CNC1CCCCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]cyclohexanamine?
The InChIKey is LMTAAEZJLLIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c14-13-9-5-4-6-11(13)10-15-12-7-2-1-3-8-12/h4-6,9,12,15H,1-3,7-8,10H2.
What are the key properties of N-[(2-chlorophenyl)methyl]cyclohexanamine?
N-[(2-chlorophenyl)methyl]cyclohexanamine has a molecular weight of 223.75 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]cyclohexanamine is sourced from PubChem (CID 4722373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).