{4-fluoro-3-[(E)-2-phenylethenyl]phenyl}methanamine

• ChemBase ID: 489527
• Molecular Formular: C15H14FN
• Molecular Mass: 227.2767632
• Monoisotopic Mass: 227.11102767
• SMILES: C(=C\c1ccccc1)/c1c(ccc(c1)CN)F
• Canonical SMILES: NCc1ccc(c(c1)/C=C/c1ccccc1)F
• InChI: InChI=1S/C15H14FN/c16-15-9-7-13(11-17)10-14(15)8-6-12-4-2-1-3-5-12/h1-10H,11,17H2/b8-6+
• InChIKey: MOCGTTRNZKUZRP-SOFGYWHQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-fluoro-3-[(E)-2-phenylethenyl]phenyl}methanamine
• IUPAC Traditional name: {4-fluoro-3-[(E)-2-phenylethenyl]phenyl}methanamine
• Synonyms: 1-{4-fluoro-3-[(E)-2-phenylvinyl]phenyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.6006706
• LogD (pH = 7.4): 1.5921047
• Log P: 3.5815573
• Molar Refractivity: 70.2026 cm^3
• Polarizability: 26.552105 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.76
• LOG S: -3.06
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3