[2-(benzyloxy)pyridin-3-yl]methanamine

• ChemBase ID: 258686
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(c(CN)cccn1)OCc1ccccc1
• Canonical SMILES: NCc1cccnc1OCc1ccccc1
• InChI: InChI=1S/C13H14N2O/c14-9-12-7-4-8-15-13(12)16-10-11-5-2-1-3-6-11/h1-8H,9-10,14H2
• InChIKey: WDCQQDHJKVTSEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(benzyloxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [2-(benzyloxy)pyridin-3-yl]methanamine
• Synonyms: [2-(benzyloxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09738576
• PubChem SID: 164314596
• PubChem CID: 16791780

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7341737
• LogD (pH = 7.4): 0.7974412
• Log P: 2.042601
• Molar Refractivity: 63.7638 cm^3
• Polarizability: 24.922297 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.785

Product Information

• Purity: 95%