N-{[2-(aminomethyl)phenyl]methyl}-N-methylcyclohexanamine

• ChemBase ID: 261861
• Molecular Formular: C15H24N2
• Molecular Mass: 232.36446
• Monoisotopic Mass: 232.19394878
• SMILES: N(Cc1c(CN)cccc1)(C1CCCCC1)C
• Canonical SMILES: NCc1ccccc1CN(C1CCCCC1)C
• InChI: InChI=1S/C15H24N2/c1-17(15-9-3-2-4-10-15)12-14-8-6-5-7-13(14)11-16/h5-8,15H,2-4,9-12,16H2,1H3
• InChIKey: PJOSCUUJKFLQBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(aminomethyl)phenyl]methyl}-N-methylcyclohexanamine
• IUPAC Traditional name: N-{[2-(aminomethyl)phenyl]methyl}-N-methylcyclohexanamine
• Synonyms: N-{[2-(aminomethyl)phenyl]methyl}-N-methylcyclohexanamine

Database IDs

• MDL Number: MFCD08443504
• PubChem SID: 164317771
• PubChem CID: 16770209

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.5608869
• LogD (pH = 7.4): -1.4980813
• Log P: 2.8396816
• Molar Refractivity: 74.0883 cm^3
• Polarizability: 29.2892 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.909

Product Information

• Purity: 95%