(2H5)ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride

• ChemBase ID: 168222
• Molecular Formular: C12H20ClNO
• Molecular Mass: 229.7463
• Monoisotopic Mass: 229.12334195
• SMILES: c1cc(ccc1CC(NCC)C)OC.Cl
• Canonical SMILES: CCNC(Cc1ccc(cc1)OC)C.Cl
• InChI: InChI=1S/C12H19NO.ClH/c1-4-13-10(2)9-11-5-7-12(14-3)8-6-11;/h5-8,10,13H,4,9H2,1-3H3;1H
• InChIKey: KWQLOEWGKCQLPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride
• IUPAC Traditional name: (^2H₅)ethyl[1-(4-methoxyphenyl)propan-2-yl]amine hydrochloride
• Synonyms: N-(Ethy-d5)l-4-methoxy-α-methylbenzeneethanamine Hydrochloride; (±)-N-(Ethyl-d5)-p-methoxyamphetamine Hydrochloride; 2-(Ethyl-d5)amino-1-(4'-methoxyphenyl)propane Hydrochloride; N-(Ethyl-d5)-p-methoxy-α-methylphenethylamine Hydrochloride; N-(Ethyl-d5)-4-methoxy Amphetamine Hydrochloride

Database IDs

• PubChem SID: 162262354
• PubChem CID: 71316454

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.79366475
• LogD (pH = 7.4): -0.2881138
• Log P: 2.4359674
• Molar Refractivity: 59.6916 cm^3
• Polarizability: 23.527822 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - E679552

A labelled analogue of the CNS stimulant Amphetamine (A634248) with increased analgesic effects.Controlled Substance.

REFERENCES

• Bustamante, D. et al.: Pharmacol. Biochem. Behav., 79, 199 (2004)
• Zaitsu, K. et al.: Forens. Sci. Int., 177, 77 (2004)