N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride

C14H22ClN — CID 15945707

IUPACN-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride
SMILESCc1ccccc1CNC1CCCCC1.Cl
InChIInChI=1S/C14H21N.ClH/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14;/h5-8,14-15H,2-4,9-11H2,1H3;1H
InChIKeyRRKBIZDPDPQGRW-UHFFFAOYSA-N
MW239.79 g/mol
LogP3.84
Rot. Bonds3

About N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride

N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride (PubChem CID 15945707) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride
PubChem CID15945707
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride
SMILESCc1ccccc1CNC1CCCCC1.Cl
InChIInChI=1S/C14H21N.ClH/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14;/h5-8,14-15H,2-4,9-11H2,1H3;1H
InChIKeyRRKBIZDPDPQGRW-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride (CID 15945707) is N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride is Cc1ccccc1CNC1CCCCC1.Cl.
What is the InChIKey of N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride?
The InChIKey is RRKBIZDPDPQGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.ClH/c1-12-7-5-6-8-13(12)11-15-14-9-3-2-4-10-14;/h5-8,14-15H,2-4,9-11H2,1H3;1H.
What are the key properties of N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride?
N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride has a molecular weight of 239.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 15945707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).