[1-(3-fluorophenyl)propan-2-yl](methyl)amine

• ChemBase ID: 125380
• Molecular Formular: C10H14FN
• Molecular Mass: 167.2232632
• Monoisotopic Mass: 167.11102767
• SMILES: Fc1cccc(CC(NC)C)c1
• Canonical SMILES: CNC(Cc1cccc(c1)F)C
• InChI: InChI=1S/C10H14FN/c1-8(12-2)6-9-4-3-5-10(11)7-9/h3-5,7-8,12H,6H2,1-2H3
• InChIKey: RRVAUTPWWWFYQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluorophenyl)propan-2-yl](methyl)amine
• IUPAC Traditional name: [1-(3-fluorophenyl)propan-2-yl](methyl)amine
• Synonyms: 3-Fluoromethamphetamine

Database IDs

• CAS Number: 1182818-14-9
• PubChem SID: 162219730
• PubChem CID: 58216164
• Chemspider ID: 27050449
• Wikipedia Title: 3-Fluoromethamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8438776
• LogD (pH = 7.4): -0.21207064
• Log P: 2.3795328
• Molar Refractivity: 48.6962 cm^3
• Polarizability: 18.790325 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true