(2H5)ethyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride

• ChemBase ID: 168212
• Molecular Formular: C11H18ClN
• Molecular Mass: 199.72032
• Monoisotopic Mass: 199.11277726
• SMILES: C([C@@H](NCC)C)c1ccccc1.Cl
• Canonical SMILES: CCN[C@H](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/t10-;/m0./s1
• InChIKey: HFBTZBOJTFIRAS-PPHPATTJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• IUPAC Traditional name: (^2H₅)ethyl[(2S)-1-phenylpropan-2-yl]amine hydrochloride
• Synonyms: (S)-N-(Ethyl-d5)-α-methylbenzeneethanamine Hydrochloride; (+)-N-(Ethyl-d5)-α-methylphenethylamine Hydrochloride; (+)-Ethylamphetamine-d5 Hydrochloride; (S)-N-Ethyl Amphetamine-d5 Hydrochloride

Database IDs

• PubChem SID: 162262344
• PubChem CID: 71316446

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 - E678397

The labelled S-enantiomer of N-Ethylamphetamine (E678400). Anorexic.Controlled substance (stimulant).

REFERENCES

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