N-[(2-methylphenyl)methyl]cyclohexanamine

• ChemBase ID: 311655
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N(Cc1c(C)cccc1)C1CCCCC1
• Canonical SMILES: Cc1ccccc1CNC1CCCCC1
• InChI: InChI=1S/C14H21N/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
• InChIKey: LKCSEKZOYZOQAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methylphenyl)methyl]cyclohexanamine
• IUPAC Traditional name: N-[(2-methylphenyl)methyl]cyclohexanamine
• Synonyms: N-(2-methylbenzyl)cyclohexanamine

Database IDs

• CAS Number: 90504-90-8
• MDL Number: MFCD03210724

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.61806387
• LogD (pH = 7.4): 1.1975327
• Log P: 3.8442867
• Molar Refractivity: 65.3614 cm^3
• Polarizability: 25.850643 Å^3
• Polar Surface Area: 12.03 Å^2