1-(4-chlorophenyl)-2-methyl(3,3,3-2H3)propan-2-amine hydrochloride

• ChemBase ID: 164493
• Molecular Formular: C10H15Cl2N
• Molecular Mass: 220.1388
• Monoisotopic Mass: 219.05815485
• SMILES: c1c(ccc(c1)CC(N)(C)C)Cl.Cl
• Canonical SMILES: CC(Cc1ccc(cc1)Cl)(N)C.Cl
• InChI: InChI=1S/C10H14ClN.ClH/c1-10(2,12)7-8-3-5-9(11)6-4-8;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: WEJDYJKJPUPMLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)-2-methyl(3,3,3-^2H₃)propan-2-amine hydrochloride
• IUPAC Traditional name: 1-(4-chlorophenyl)-2-methyl(3,3,3-^2H₃)propan-2-amine hydrochloride
• Synonyms: 4-Chloro-α,α-dimethyl-1-benzeneethanamine-d3 Hydrochloride; 4-Chloro-α,α-dimethylphenethylamine-d3 Hydrochloride; (4-Chlorophenyl)-2-methylpropan-2-amine-d3 Hydrochloride; p-Chloro-α,α-dimethylphenethylamine-d3 Hydrochloride; α,α-Dimethyl-4-chlorobenzeneethanamine-d3 Hydrochloride; Clorfentermina-d3 Hydrochloride; Desopimon-d3 Hydrochloride; Effox-d3 Hydrochloride; Lucofen SA-d3 Hydrochloride; Teramine-d3 Hydrochloride; 1-(p-Chlorophenyl)-2-methyl-2-aminopropane-d3 Hydrochloride; Chlorphentermine-d3 Hydrochloride

Database IDs

• PubChem SID: 162258628
• PubChem CID: 71314780

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3357499
• LogD (pH = 7.4): 0.06515853
• Log P: 2.6888719
• Molar Refractivity: 53.1482 cm^3
• Polarizability: 21.00544 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - C375082

Labelled Chlorphentermine. Chlorphentermine is an anorectic agent. Chlorphentermine is the 4-chloro derivative of the better known appetite suppressant Phentermine (P318830). Chlorphentermine is structurally related to amphetamine but is a relatively weak

REFERENCES

• Gylys, J.A. et al.: J. Pharmacol. Exp. Therap., 137, 365 (1962)
• Jun, H.W. et al.: Can. J. Pharmac. Sci., 4, 27 (1962)
• Luellmann, H. et al.: J. Pharm. Pharmacol., 25, 239 (1962)