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

• ChemBase ID: 169078
• Molecular Formular: C9H13ClFN
• Molecular Mass: 189.6576232
• Monoisotopic Mass: 189.07205532
• SMILES: C(C(N)C)c1c(cccc1)F.Cl
• Canonical SMILES: CC(Cc1ccccc1F)N.Cl
• InChI: InChI=1S/C9H12FN.ClH/c1-7(11)6-8-4-2-3-5-9(8)10;/h2-5,7H,6,11H2,1H3;1H
• InChIKey: RAKLYDJAHZCJMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-fluoroamphetamine hydrochloride
• Synonyms: 2-Fluoro-α-methylbenzeneethanamine Hydrochloride; o-Fluoro-α-methylphenethylamine Hydrochloride; rac 2-Fluoro Amphetamine Hydochloride

Database IDs

• CAS Number: 1626-69-3
• PubChem SID: 162263210
• PubChem CID: 71316804

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0672097
• LogD (pH = 7.4): -0.4298547
• Log P: 1.9469525
• Molar Refractivity: 43.9216 cm^3
• Polarizability: 16.94954 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F587610

2-Fluoro Amphetamine (2-FA) is a structural isomer of 4-FA (F587600). The physiological and toxicological properties of 2-FA are not known. This product is intended for research and forensic applications.

REFERENCES

• Bucinski, A., et al.: J .Pharm. Biomed. Anal., 50, 591 (2009)
• Vardakou, I., et al.: Toxicol. Lett., 201, 191 (2009)