[(2-methoxyphenyl)methyl](pyridin-2-ylmethyl)amine

• ChemBase ID: 311043
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(c(OC)cccc1)CNCc1ncccc1
• Canonical SMILES: COc1ccccc1CNCc1ccccn1
• InChI: InChI=1S/C14H16N2O/c1-17-14-8-3-2-6-12(14)10-15-11-13-7-4-5-9-16-13/h2-9,15H,10-11H2,1H3
• InChIKey: GOBXDYYANOXDAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl](pyridin-2-ylmethyl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl](pyridin-2-ylmethyl)amine
• Synonyms: (2-methoxybenzyl)(pyridin-2-ylmethyl)amine

Database IDs

• CAS Number: 353779-31-4
• MDL Number: MFCD01135398

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1193589
• LogD (pH = 7.4): 1.6834744
• Log P: 1.962196
• Molar Refractivity: 67.7027 cm^3
• Polarizability: 26.766224 Å^3
• Polar Surface Area: 34.15 Å^2