1-(4-methylphenyl)(2H6)propan-2-amine hydrochloride

• ChemBase ID: 173311
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: c1c(ccc(c1)CC(N)C)C.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)C)N.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-8-3-5-10(6-4-8)7-9(2)11;/h3-6,9H,7,11H2,1-2H3;1H
• InChIKey: KOFSZKDEQWGBDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methylphenyl)(^2H₆)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-(4-methylphenyl)(^2H₆)propan-2-amine hydrochloride
• Synonyms: α,4-Dimethylbenzene(ethan-d6)amine Hydrochloride; (±)-4-Methylamphetamine-d6 Hydrochloride; rac 4-Methylamphetamine-d6 Hydrochloride

Database IDs

• PubChem SID: 164229221
• PubChem CID: 71750195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7020011
• LogD (pH = 7.4): -0.17240587
• Log P: 2.3176718
• Molar Refractivity: 48.7464 cm^3
• Polarizability: 19.212523 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M287402

A labelled methylated analog of Amphetamine (A634248). A stimulant and anorectic drug. It acts as a potent and balanced serotonin, norepinephrine, and dopamine releasing agent. Controlled Substance.

REFERENCES

• Wee, S. et al.: J. Pharmacol. Exp. Therap., 313, 848 (2004)
• Higgs, R.A. et al.: Pharmacol. Biochem. Behav., 37, 835 (2004)