(4-fluorophenyl)(pyridin-4-yl)methanamine

• ChemBase ID: 270200
• Molecular Formular: C12H11FN2
• Molecular Mass: 202.2275432
• Monoisotopic Mass: 202.09062658
• SMILES: C(c1ccc(cc1)F)(c1ccncc1)N
• Canonical SMILES: Fc1ccc(cc1)C(c1ccncc1)N
• InChI: InChI=1S/C12H11FN2/c13-11-3-1-9(2-4-11)12(14)10-5-7-15-8-6-10/h1-8,12H,14H2
• InChIKey: RGGKQVOLPJFKKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-fluorophenyl)(pyridin-4-yl)methanamine
• IUPAC Traditional name: (4-fluorophenyl)(pyridin-4-yl)methanamine
• Synonyms: 1-(4-fluorophenyl)-1-pyridin-4-ylmethanamine; (4-fluorophenyl)(pyridin-4-yl)methanamine

Database IDs

• CAS Number: 917746-83-9
• MDL Number: MFCD09026464
• PubChem SID: 164326110
• PubChem CID: 16244345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0292157
• LogD (pH = 7.4): 0.4268811
• Log P: 1.8082839
• Molar Refractivity: 56.8737 cm^3
• Polarizability: 22.029873 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 63 - 65°C
• Hydrophobicity(logP): 1.088

Product Information

• Purity: 95%