[1-(2-fluorophenyl)ethyl](methyl)amine

• ChemBase ID: 98906
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: N(C(c1c(cccc1)F)C)C
• Canonical SMILES: CNC(c1ccccc1F)C
• InChI: InChI=1S/C9H12FN/c1-7(11-2)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3
• InChIKey: QEHQNPXQYYTODW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)ethyl](methyl)amine
• IUPAC Traditional name: [1-(2-fluorophenyl)ethyl](methyl)amine
• Synonyms: 1-(2-Fluorophenyl)-N-methylethylamine; alpha,N-Dimethyl-2-fluorobenzylamine 98+%; [1-(2-fluorophenyl)ethyl](methyl)amine

Database IDs

• CAS Number: 926213-41-4
• MDL Number: MFCD08461632
• PubChem SID: 162085239
• PubChem CID: 16774298

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.94762623
• LogD (pH = 7.4): 0.523185
• Log P: 2.0908716
• Molar Refractivity: 43.9412 cm^3
• Polarizability: 17.021875 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.962

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%