N-[(3-methylphenyl)methyl]cyclohexanamine

• ChemBase ID: 311641
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: N(Cc1cc(ccc1)C)C1CCCCC1
• Canonical SMILES: Cc1cccc(c1)CNC1CCCCC1
• InChI: InChI=1S/C14H21N/c1-12-6-5-7-13(10-12)11-15-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11H2,1H3
• InChIKey: FFWZPSNFUSWMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-methylphenyl)methyl]cyclohexanamine
• IUPAC Traditional name: N-[(3-methylphenyl)methyl]cyclohexanamine
• Synonyms: N-(3-methylbenzyl)cyclohexanamine

Database IDs

• CAS Number: 356530-67-1
• MDL Number: MFCD03210637

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6190389
• LogD (pH = 7.4): 1.2174191
• Log P: 3.8442867
• Molar Refractivity: 65.3614 cm^3
• Polarizability: 25.850409 Å^3
• Polar Surface Area: 12.03 Å^2