[(4-fluorophenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 312270
• Molecular Formular: C10H12FN
• Molecular Mass: 165.2073832
• Monoisotopic Mass: 165.09537761
• SMILES: C(=C)CNCc1ccc(F)cc1
• Canonical SMILES: C=CCNCc1ccc(cc1)F
• InChI: InChI=1S/C10H12FN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2
• InChIKey: PEGGUJZMVWZOLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(4-fluorophenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(4-fluorobenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 889949-25-1
• MDL Number: MFCD07406236

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6011786
• LogD (pH = 7.4): 0.9142668
• Log P: 2.4055464
• Molar Refractivity: 48.6851 cm^3
• Polarizability: 18.625381 Å^3
• Polar Surface Area: 12.03 Å^2