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

• ChemBase ID: 260422
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: n1c(ccc(c1)CN)OCCOc1ccccc1
• Canonical SMILES: NCc1ccc(nc1)OCCOc1ccccc1
• InChI: InChI=1S/C14H16N2O2/c15-10-12-6-7-14(16-11-12)18-9-8-17-13-4-2-1-3-5-13/h1-7,11H,8-10,15H2
• InChIKey: BPESNUOOYZRCQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09817012
• PubChem SID: 164316332
• PubChem CID: 20119481

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.97961
• LogD (pH = 7.4): 0.21420671
• Log P: 1.9621778
• Molar Refractivity: 69.7034 cm^3
• Polarizability: 27.429577 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.184

Product Information

• Purity: 95%