(2H5)ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine hydrochloride

• ChemBase ID: 168888
• Molecular Formular: C12H17ClF3N
• Molecular Mass: 267.7182896
• Monoisotopic Mass: 267.10016189
• SMILES: c1cc(cc(c1)CC(C)NCC)C(F)(F)F.Cl
• Canonical SMILES: CCNC(Cc1cccc(c1)C(F)(F)F)C.Cl
• InChI: InChI=1S/C12H16F3N.ClH/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15;/h4-6,8-9,16H,3,7H2,1-2H3;1H
• InChIKey: ZXKXJHAOUFHNAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₅)ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine hydrochloride
• IUPAC Traditional name: (^2H₅)ethyl({1-[3-(trifluoromethyl)phenyl]propan-2-yl})amine hydrochloride
• Synonyms: N-(Ethyl-d5)-α-methyl-3-(trifluoromethyl)benzeneethanamine Hydrochloride; N-(Ethyl-d5)-α-methyl-m-(trifluoromethyl)phenethylamine Hydrochloride; Acino-d5; Adipomin-d5; Obedrex-d5; Pesos-d5; Ponderal-d5; Pondimin-d5; Rotondin-d5; rac Fenfluramine-d5 Hydrochloride

Database IDs

• PubChem SID: 162263020
• PubChem CID: 46781567

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.24381867
• LogD (pH = 7.4): 0.7935381
• Log P: 3.4714873
• Molar Refractivity: 59.2021 cm^3
• Polarizability: 21.975142 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F247602

Labelled Fenfluramine. Anorexic.

REFERENCES

• Pinder, et al.: Drugs, 10, 241 (1975)
• Caccia, S., et al.: Eur. J. Clin. Pharmacol., 29, 221 (1975)
• Finner, N., et al.: Curr. Ther. Res., 38, 847 (1975)