[2-(4-ethoxyphenoxy)pyridin-4-yl]methanamine

• ChemBase ID: 259726
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c1(nccc(c1)CN)Oc1ccc(cc1)OCC
• Canonical SMILES: CCOc1ccc(cc1)Oc1nccc(c1)CN
• InChI: InChI=1S/C14H16N2O2/c1-2-17-12-3-5-13(6-4-12)18-14-9-11(10-15)7-8-16-14/h3-9H,2,10,15H2,1H3
• InChIKey: OUSZMANGADYTAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-ethoxyphenoxy)pyridin-4-yl]methanamine
• IUPAC Traditional name: [2-(4-ethoxyphenoxy)pyridin-4-yl]methanamine
• Synonyms: [2-(4-ethoxyphenoxy)pyridin-4-yl]methanamine

Database IDs

• MDL Number: MFCD09737215
• PubChem SID: 164315636
• PubChem CID: 16790430

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.76764894
• LogD (pH = 7.4): 0.42184585
• Log P: 2.175223
• Molar Refractivity: 70.1406 cm^3
• Polarizability: 27.483578 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.143

Product Information

• Purity: 95%