1-(4-fluorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 169077
• Molecular Formular: C9H13ClFN
• Molecular Mass: 189.6576232
• Monoisotopic Mass: 189.07205532
• SMILES: C(C(N)C)c1ccc(cc1)F.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)F)N.Cl
• InChI: InChI=1S/C9H12FN.ClH/c1-7(11)6-8-2-4-9(10)5-3-8;/h2-5,7H,6,11H2,1H3;1H
• InChIKey: GKWYMWZWSCKSMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 4-fluoroamphetamine hydrochloride
• Synonyms: 4-Fluoro-α-methylbenzeneethanamine Hydochloride; (+/-)-p-Fluoroamphetamine Hydochloride; p-Fluoroamphetamine Hydochloride; rac 4-Fluoro Amphetamine Hydrochloride; 1-(4-Fluorophenyl)propan-2-amine hydrochloride

Database IDs

• CAS Number: 64609-06-9
• PubChem SID: 162263209
• PubChem CID: 120675

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0722251
• LogD (pH = 7.4): -0.5316988
• Log P: 1.9469525
• Molar Refractivity: 43.9216 cm^3
• Polarizability: 16.947783 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - F587600

An Amphetamine analog used as an antiparkinsonian agent.

REFERENCES

• Curtis, B., et al.: J. Anal. Toxicol., 27, 493 (2003)
• Staack, R., et al.: Curr. Drug Metab., 6, 259 (2003)
• Pichini, S., et al.: J. Pharm. Biomed. Anal., 47, 335 (2003)