[1-(3-fluorophenyl)propan-2-yl](2H3)methylamine hydrochloride

• ChemBase ID: 169143
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: c1cc(cc(c1)CC(NC)C)F.Cl
• Canonical SMILES: CNC(Cc1cccc(c1)F)C.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-8(12-2)6-9-4-3-5-10(11)7-9;/h3-5,7-8,12H,6H2,1-2H3;1H
• InChIKey: YMSKCWWRRHZMMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(3-fluorophenyl)propan-2-yl](^2H₃)methylamine hydrochloride
• IUPAC Traditional name: [1-(3-fluorophenyl)propan-2-yl](^2H₃)methylamine hydrochloride
• Synonyms: 3-Fluoro-N,α-dimethylbenzeneethanamine-d3 Hydrochloride; 3-Fluoro Methamphetamine-d3 Hydrochloride

Database IDs

• PubChem SID: 162263275
• PubChem CID: 71316837

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: 18.790329 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: White Solid
• Melting Point: 131-133°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer

DETAILS

Toronto Research Chemicals - F593102

Labelled 3-Fluoro Methamphetamine (F593100). An analog of Methamphetamine (M258795). Controlled substance.

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)