1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine;hydron;chloride

2.1.2 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

2.1.3 InChI Key

ZXKXJHAOUFHNAS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

[H+].CCNC(C)CC1=CC(=CC=C1)C(F)(F)F.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine; Hydron; Chloride

2. Akos015890422

3. A821256

4. A825124

2.3 Create Date

2010-05-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇ClF₃N
Molecular Weight	267.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	267.1001617 g/mol
Monoisotopic Mass	267.1001617 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	203
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

Fenfluramine Hydrochloride