[2-(2-fluorophenyl)ethyl](methyl)amine

• ChemBase ID: 272933
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: c1(c(CCNC)cccc1)F
• Canonical SMILES: CNCCc1ccccc1F
• InChI: InChI=1S/C9H12FN/c1-11-7-6-8-4-2-3-5-9(8)10/h2-5,11H,6-7H2,1H3
• InChIKey: VGGRQNLAMNVBOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-fluorophenyl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(2-fluorophenyl)ethyl](methyl)amine
• Synonyms: [2-(2-fluorophenyl)ethyl](methyl)amine

Database IDs

• MDL Number: MFCD10568166
• PubChem SID: 164328843
• PubChem CID: 21887195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2480704
• LogD (pH = 7.4): -0.44296694
• Log P: 1.9629577
• Molar Refractivity: 44.2774 cm^3
• Polarizability: 16.949703 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.722

Product Information

• Purity: 95%