benzyl(cyclohexylmethyl)amine hydrochloride

• ChemBase ID: 21793
• Molecular Formular: C14H22ClN
• Molecular Mass: 239.78418
• Monoisotopic Mass: 239.14407739
• SMILES: N(Cc1ccccc1)CC1CCCCC1.Cl
• Canonical SMILES: C1CCC(CC1)CNCc1ccccc1.Cl
• InChI: InChI=1S/C14H21N.ClH/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;/h1,3-4,7-8,14-15H,2,5-6,9-12H2;1H
• InChIKey: LMZVALKSTZVWRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(cyclohexylmethyl)amine hydrochloride
• IUPAC Traditional name: benzyl(cyclohexylmethyl)amine hydrochloride
• Synonyms: N-(Cyclohexylmethyl)(phenyl)-methanaminehydrochloride

Database IDs

• MDL Number: MFCD00760309
• PubChem SID: 160985100
• PubChem CID: 16641244

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.42200157
• LogD (pH = 7.4): 1.0455865
• Log P: 3.6458778
• Molar Refractivity: 65.051 cm^3
• Polarizability: 25.932266 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false