[1-(4-methoxyphenyl)propan-2-yl](2H3)methylamine hydrochloride

• ChemBase ID: 172992
• Molecular Formular: C11H18ClNO
• Molecular Mass: 215.71972
• Monoisotopic Mass: 215.10769188
• SMILES: c1c(ccc(c1)CC(NC)C)OC.Cl
• Canonical SMILES: CNC(Cc1ccc(cc1)OC)C.Cl
• InChI: InChI=1S/C11H17NO.ClH/c1-9(12-2)8-10-4-6-11(13-3)7-5-10;/h4-7,9,12H,8H2,1-3H3;1H
• InChIKey: IQZVXWOBOYTPER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-methoxyphenyl)propan-2-yl](^2H₃)methylamine hydrochloride
• IUPAC Traditional name: [1-(4-methoxyphenyl)propan-2-yl](^2H₃)methylamine hydrochloride
• Synonyms: 4-Methoxy-N-(methyl-d3)-α-methylbenzeneethanamine Hydrochloride; PMMA-d3; p-Methoxy-N-(methyl-d3)-α-methylphenethylamine Hydrochloride; 4-Methoxy Methamphetamine-d3 Hydrochloride

Database IDs

• PubChem SID: 164228902
• PubChem CID: 71750091

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1479639
• LogD (pH = 7.4): -0.5867756
• Log P: 2.0791595
• Molar Refractivity: 54.943 cm^3
• Polarizability: 21.681543 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - M262832

The labelled 4-methoxy analog of Methamphetamine (M258795). CNS stimulant. Controlled substance.

REFERENCES

• Glennon, R. et al.: Pharmacol. Biochem. Behav., 31, 9 (1988)
• MIchaux, R.: Exp. Brain Res., 3, 178 (1988)
• Glennon, R. et al.: Pharmacol. Biochem. Behav., 86, 477 (1988)