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

• ChemBase ID: 289954
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: COc1ccccc1CNc1ncccc1
• Canonical SMILES: COc1ccccc1CNc1ccccn1
• InChI: InChI=1S/C13H14N2O/c1-16-12-7-3-2-6-11(12)10-15-13-8-4-5-9-14-13/h2-9H,10H2,1H3,(H,14,15)
• InChIKey: RGOSYQVWITXDSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 856855-87-3
• PubChem SID: 180675485
• PubChem CID: 40457291

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4095466
• LogD (pH = 7.4): 2.3289325
• Log P: 2.389611
• Molar Refractivity: 65.4842 cm^3
• Polarizability: 24.527328 Å^3
• Polar Surface Area: 34.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%