[6-(4-phenoxyphenoxy)pyridin-3-yl]methanamine

• ChemBase ID: 260896
• Molecular Formular: C18H16N2O2
• Molecular Mass: 292.33184
• Monoisotopic Mass: 292.12117776
• SMILES: n1c(Oc2ccc(Oc3ccccc3)cc2)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)Oc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C18H16N2O2/c19-12-14-6-11-18(20-13-14)22-17-9-7-16(8-10-17)21-15-4-2-1-3-5-15/h1-11,13H,12,19H2
• InChIKey: PNACMKDILPQCBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(4-phenoxyphenoxy)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(4-phenoxyphenoxy)pyridin-3-yl]methanamine
• Synonyms: [6-(4-phenoxyphenoxy)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD09733384
• PubChem SID: 164316806
• PubChem CID: 16786626

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5387701
• LogD (pH = 7.4): 1.7485273
• Log P: 3.4763737
• Molar Refractivity: 85.1696 cm^3
• Polarizability: 33.4694 Å^3
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.793

Product Information

• Purity: 95%