ethyl[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine hydrochloride

• ChemBase ID: 121648
• Molecular Formular: C12H17ClF3N
• Molecular Mass: 267.7182896
• Monoisotopic Mass: 267.10016189
• SMILES: C(c1cc(C[C@H](NCC)C)ccc1)(F)(F)F.Cl
• Canonical SMILES: CCN[C@@H](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/t9-;/m1./s1
• InChIKey: ZXKXJHAOUFHNAS-SBSPUUFOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amine hydrochloride
• IUPAC Traditional name: (-)-fenfluramine hydrochloride
• Synonyms: (R)-N-ethyl-1-(3-(trifluoromethyl)phenyl)propan-2-amine hydrochloride; R(-)-Fenfluramine hydrochloride

Database IDs

• CAS Number: 37577-24-5
• MDL Number: MFCD00069277
• PubChem SID: 24894749; 162216001
• PubChem CID: 16219349

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: 21.97514 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: SH6824000
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/24/25
• Safety Statements: 22-26-36
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3
• Drug Control: USDEA Schedule IV

Product Information

• Salt Data: HCl

DETAILS

Sigma Aldrich - F113

Biochem/physiol Actions
Less active enantiomer
Neurotoxic on prolonged administration or at high dosage; releases serotonin from axon terminals by a nonexocytotic mechanism; anorectic.