methyl[(4-methylphenyl)(pyridin-2-yl)methyl]amine

• ChemBase ID: 272582
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: C(c1ccc(cc1)C)(c1ncccc1)NC
• Canonical SMILES: CNC(c1ccccn1)c1ccc(cc1)C
• InChI: InChI=1S/C14H16N2/c1-11-6-8-12(9-7-11)14(15-2)13-5-3-4-10-16-13/h3-10,14-15H,1-2H3
• InChIKey: DNLNMMSVFORYMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methylphenyl)(pyridin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methylphenyl)(pyridin-2-yl)methyl]amine
• Synonyms: methyl[(4-methylphenyl)(pyridin-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD12154227
• PubChem SID: 164328492
• PubChem CID: 50989036

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.47758666
• LogD (pH = 7.4): 2.2051744
• Log P: 2.845245
• Molar Refractivity: 66.026 cm^3
• Polarizability: 26.050226 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.86

Product Information

• Purity: 95%