[6-(2-ethoxyphenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 259798
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: n1c(Oc2c(OCC)cccc2)ccc(c1)CN
• Canonical SMILES: CCOc1ccccc1Oc1ccc(cn1)CN
• InChI: InChI=1S/C14H16N2O2/c1-2-17-12-5-3-4-6-13(12)18-14-8-7-11(9-15)10-16-14/h3-8,10H,2,9,15H2,1H3
• InChIKey: DSZLXZDYXZGMPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(2-ethoxyphenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(2-ethoxyphenoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(2-ethoxyphenoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09740478
• PubChem SID: 164315708
• PubChem CID: 16793659

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7619322
• LogD (pH = 7.4): 0.44949174
• Log P: 2.175223
• Molar Refractivity: 70.1406 cm^3
• Polarizability: 27.486174 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.793

Product Information

• Purity: 95%