N-[2-(2,5-Dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide - CAS 187389-19-1

Catalog:	BB063190
Product Name:	N-[2-(2,5-Dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
CAS:	187389-19-1
Synonyms:	N-(2,5-Dimethoxyphenethyl)-2,2,2-trifluoroacetamide; N-[2-(2,5-Dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide; N-trifluoroacetyl-2-(2,5-dimethoxyphenyl)-1-aminoethane

Technical Data

IUPAC Name:	N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
Description:	N-[2-(2,5-Dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide is an intermediate in the synthesis of 2C-TFM Hydrochloride (C830000), a potent agonist of the serotonin (5-HT) receptor subtypes 5-HT2A and 5-HT2C. 2C refers to a series of 2,5-dimethoxyphenethylamines with psychoactive effects.
Molecular Weight:	277.24
Molecular Formula:	C12H14F3NO3
Canonical SMILES:	COC1=CC(=C(C=C1)OC)CCNC(=O)C(F)(F)F
InChI:	InChI=1S/C12H14F3NO3/c1-18-9-3-4-10(19-2)8(7-9)5-6-16-11(17)12(13,14)15/h3-4,7H,5-6H2,1-2H3,(H,16,17)
InChI Key:	VJHIWEPSKXAYAB-UHFFFAOYSA-N
Solubility:	Dichloromethane; Ethyl Acetate
Appearance:	White Solid
References:	Nichols, D., et al. J. Med. Chem., 37, 4346 (1994); Moya, P., et al. J. Pharmacol. Exp. Ther., 321, 1054 (2007).

Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	277.09257779
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	277.09257779
Rotatable Bond Count:	5
Topological Polar Surface Area:	47.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7