1-(3-fluorophenyl)propan-2-amine

• ChemBase ID: 125378
• Molecular Formular: C9H12FN
• Molecular Mass: 153.1966832
• Monoisotopic Mass: 153.09537761
• SMILES: Fc1cccc(c1)CC(C)N
• Canonical SMILES: CC(Cc1cccc(c1)F)N
• InChI: InChI=1S/C9H12FN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
• InChIKey: PIOCLGPCMNPZFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)propan-2-amine
• IUPAC Traditional name: 3-fluoroamphetamine
• Synonyms: 3-Fluoroamphetamine

Database IDs

• CAS Number: 1626-71-7
• PubChem SID: 162219728
• PubChem CID: 121501
• Chemspider ID: 108417
• Wikipedia Title: 3-Fluoroamphetamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0707059
• LogD (pH = 7.4): -0.4983655
• Log P: 1.9469525
• Molar Refractivity: 43.9216 cm^3
• Polarizability: 16.948175 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true