(2H5)ethyl(1-phenylpropan-2-yl)amine hydrochloride

• ChemBase ID: 168213
• Molecular Formular: C11H18ClN
• Molecular Mass: 199.72032
• Monoisotopic Mass: 199.11277726
• SMILES: C(C(NCC)C)c1ccccc1.Cl
• Canonical SMILES: CCNC(Cc1ccccc1)C.Cl
• InChI: InChI=1S/C11H17N.ClH/c1-3-12-10(2)9-11-7-5-4-6-8-11;/h4-8,10,12H,3,9H2,1-2H3;1H
• InChIKey: HFBTZBOJTFIRAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethyl(1-phenylpropan-2-yl)amine hydrochloride
• IUPAC Traditional name: (^2H₅)ethyl(1-phenylpropan-2-yl)amine hydrochloride
• Synonyms: N-(Ethyl-d5)-α-methylbenzeneethanamine Hydrochloride; (+/-)-(Ethyl-d5)amphetamine Hydrochloride; (+/-)-N-(Ethyl-d5)amphetamine Hydrochloride; Apetinil Depo-d5; (Ethyl-d5)amphetamine Hydrochloride; MG 19973-d5; N-(Ethyl-d5)amphetamine Hydrochloride; NSC 54938-d5; d,1-N-(Ethyl-d5) Amphetamine Hydrochloride; dl-N-(Ethyl-d5)amphetamine Hydrochloride; rac-N-Ethyl Amphetamine-d5 Hydrochloride

Database IDs

• PubChem SID: 162262345
• PubChem CID: 71316448

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6362952
• LogD (pH = 7.4): -0.13796817
• Log P: 2.593639
• Molar Refractivity: 53.2284 cm^3
• Polarizability: 21.058483 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - E678402

Labelled N-Ethyl Amphetamine (E678400). Controlled substance (stimulant). Anorexic.

REFERENCES

• Tessel, R.E., et al.: Biochem. Pharmacol., 27, 1631 (1978)