[1-(2-fluorophenyl)propan-2-yl](methyl)amine

• ChemBase ID: 125270
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: CC(Cc1ccccc1F)NC
• Canonical SMILES: CNC(Cc1ccccc1F)C
• InChI: InChI=1S/C10H14FN/c1-8(12-2)7-9-5-3-4-6-10(9)11/h3-6,8,12H,7H2,1-2H3
• InChIKey: XNWIKJYFOIDUGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2-fluorophenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: 2-fluoromethamphetamine
• Synonyms: 2-Fluoromethamphetamine

Database IDs

• CAS Number: 1017176-48-5
• PubChem SID: 162219620
• PubChem CID: 24257263
• Chemspider ID: 23900072
• Wikipedia Title: 2-Fluoromethamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.83692724
• LogD (pH = 7.4): -0.09887725
• Log P: 2.3795328
• Molar Refractivity: 48.6962 cm^3
• Polarizability: 18.791697 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: oral, insufflation