[4-(3-fluorophenoxy)pyridin-2-yl]methanamine

• ChemBase ID: 272443
• Molecular Formular: C12H11FN2O
• Molecular Mass: 218.2269432
• Monoisotopic Mass: 218.0855412
• SMILES: n1c(cc(Oc2cc(F)ccc2)cc1)CN
• Canonical SMILES: NCc1nccc(c1)Oc1cccc(c1)F
• InChI: InChI=1S/C12H11FN2O/c13-9-2-1-3-11(6-9)16-12-4-5-15-10(7-12)8-14/h1-7H,8,14H2
• InChIKey: IZXARGJXHMWFFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(3-fluorophenoxy)pyridin-2-yl]methanamine
• IUPAC Traditional name: [4-(3-fluorophenoxy)pyridin-2-yl]methanamine
• Synonyms: [4-(3-fluorophenoxy)pyridin-2-yl]methanamine

Database IDs

• MDL Number: MFCD16731453
• PubChem SID: 164328353
• PubChem CID: 50989751

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0589335
• LogD (pH = 7.4): 0.56452703
• Log P: 1.6058029
• Molar Refractivity: 58.3095 cm^3
• Polarizability: 22.773466 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.838

Product Information

• Purity: 95%