(6-phenoxypyridin-3-yl)methanamine

• ChemBase ID: 266946
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: n1c(Oc2ccccc2)ccc(c1)CN
• Canonical SMILES: NCc1ccc(nc1)Oc1ccccc1
• InChI: InChI=1S/C12H12N2O/c13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h1-7,9H,8,13H2
• InChIKey: UPFYGCWWVXXUFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-phenoxypyridin-3-yl)methanamine
• IUPAC Traditional name: (6-phenoxypyridin-3-yl)methanamine
• Synonyms: (6-phenoxypyridin-3-yl)methanamine

Database IDs

• MDL Number: MFCD09738654
• PubChem SID: 164322856
• PubChem CID: 16791859

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.96149385
• LogD (pH = 7.4): 0.24834998
• Log P: 1.9760865
• Molar Refractivity: 58.9288 cm^3
• Polarizability: 23.139023 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.695

Product Information

• Purity: 95%