[1-(3-methylphenyl)cyclohexyl]methanamine

• ChemBase ID: 259251
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: C1(c2cc(ccc2)C)(CN)CCCCC1
• Canonical SMILES: NCC1(CCCCC1)c1cccc(c1)C
• InChI: InChI=1S/C14H21N/c1-12-6-5-7-13(10-12)14(11-15)8-3-2-4-9-14/h5-7,10H,2-4,8-9,11,15H2,1H3
• InChIKey: MAQLUZGGBATJQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-methylphenyl)cyclohexyl]methanamine
• IUPAC Traditional name: [1-(3-methylphenyl)cyclohexyl]methanamine
• Synonyms: [1-(3-methylphenyl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD11642689
• PubChem SID: 164315161
• PubChem CID: 39871066

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5274768
• LogD (pH = 7.4): 1.4771113
• Log P: 3.5140507
• Molar Refractivity: 65.1981 cm^3
• Polarizability: 25.769707 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.043

Product Information

• Purity: 95%