1-[3-(pyridin-2-ylmethoxy)phenyl]ethan-1-amine

• ChemBase ID: 259387
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(cc(OCc2ncccc2)ccc1)C(N)C
• Canonical SMILES: CC(c1cccc(c1)OCc1ccccn1)N
• InChI: InChI=1S/C14H16N2O/c1-11(15)12-5-4-7-14(9-12)17-10-13-6-2-3-8-16-13/h2-9,11H,10,15H2,1H3
• InChIKey: CDADKDUGURSPFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(pyridin-2-ylmethoxy)phenyl]ethan-1-amine
• IUPAC Traditional name: 1-[3-(pyridin-2-ylmethoxy)phenyl]ethanamine
• Synonyms: 1-[3-(pyridin-2-ylmethoxy)phenyl]ethan-1-amine

Database IDs

• MDL Number: MFCD09729787
• PubChem SID: 164315297
• PubChem CID: 16783085

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0627841
• LogD (pH = 7.4): -0.23966758
• Log P: 1.9461906
• Molar Refractivity: 67.3469 cm^3
• Polarizability: 26.763578 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.593

Product Information

• Purity: 95%