{[5-(benzyloxy)pyridin-2-yl]methyl}(methyl)amine

• ChemBase ID: 815050
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: C(NC)c1ncc(cc1)OCc1ccccc1
• Canonical SMILES: CNCc1ccc(cn1)OCc1ccccc1
• InChI: InChI=1S/C14H16N2O/c1-15-9-13-7-8-14(10-16-13)17-11-12-5-3-2-4-6-12/h2-8,10,15H,9,11H2,1H3
• InChIKey: VPAIRBQZGYSZBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-(benzyloxy)pyridin-2-yl]methyl}(methyl)amine
• IUPAC Traditional name: {[5-(benzyloxy)pyridin-2-yl]methyl}(methyl)amine
• Synonyms: 1-(5-(benzyloxy)pyridin-2-yl)-N-methylmethanamine

Database IDs

• CAS Number: 1060804-59-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.75803804
• LogD (pH = 7.4): 0.9458657
• Log P: 1.962196
• Molar Refractivity: 67.7027 cm^3
• Polarizability: 26.765696 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%