2-[5-(benzyloxy)pyridin-3-yl]ethan-1-amine

• ChemBase ID: 815055
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: C(Cc1cncc(c1)OCc1ccccc1)N
• Canonical SMILES: NCCc1cncc(c1)OCc1ccccc1
• InChI: InChI=1S/C14H16N2O/c15-7-6-13-8-14(10-16-9-13)17-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11,15H2
• InChIKey: ZJBWMEGRYJIABJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(benzyloxy)pyridin-3-yl]ethan-1-amine
• IUPAC Traditional name: 2-[5-(benzyloxy)pyridin-3-yl]ethanamine
• Synonyms: 2-(5-(benzyloxy)pyridin-3-yl)ethanamine

Database IDs

• CAS Number: 1060804-66-1

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2698911
• LogD (pH = 7.4): -0.4724354
• Log P: 1.7368048
• Molar Refractivity: 68.2053 cm^3
• Polarizability: 26.688938 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%