benzyl[(3-methylpyridin-2-yl)methyl]amine

• ChemBase ID: 307009
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: n1c(c(C)ccc1)CNCc1ccccc1
• Canonical SMILES: Cc1cccnc1CNCc1ccccc1
• InChI: InChI=1S/C14H16N2/c1-12-6-5-9-16-14(12)11-15-10-13-7-3-2-4-8-13/h2-9,15H,10-11H2,1H3
• InChIKey: FPYZKCNPEYNVAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[(3-methylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: benzyl[(3-methylpyridin-2-yl)methyl]amine
• Synonyms: N-benzyl-1-(3-methylpyridin-2-yl)methanamine

Database IDs

• CAS Number: 1185293-36-0
• MDL Number: MFCD08144089

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.21662675
• LogD (pH = 7.4): 1.9475518
• Log P: 2.6332886
• Molar Refractivity: 66.2807 cm^3
• Polarizability: 26.053524 Å^3
• Polar Surface Area: 24.92 Å^2