Name: Benzeneethanamine, 2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)-
SKU: 1027161-33-6

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Basic Information

Molecular Structure:
CAS No.:	1027161-33-6
Name:	Benzeneethanamine, 2,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-4-(trifluoromethyl)-
Article Data:	1

Formula:	C₁₉H₂₂F₃NO₃
Molecular Weight:	369.384
Synonyms:	2-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]-N-(2-methoxybenzyl)ethanamine;NBOMe-2C-TFM;Cimbi-138;25TFM-NBOMe;
Density:	1.177 g/cm³
Boiling Point:	442.319 °C at 760 mmHg
Flash Point:	221.307 °C
PSA:	39.72000
LogP:	4.45440

Synthetic route

: 135-02-4
ortho-anisaldehyde

: 1-(2,5-dimethoxy-4-(trufluoromethyl)phenyl)-2-aminoethane hydrochloride

: 1027161-33-6
2-(4-trifluoromethyl-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: triethylamine / ethanol / 20 °C 2: sodium tetrahydroborate / ethanol / 0.5 h / 20 °C View Scheme

: C19H20F3NO3

: 1027161-33-6
2-(4-trifluoromethyl-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine

Conditions

Conditions	Yield
With sodium tetrahydroborate In ethanol at 20℃; for 0.5h;

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Specification

The 2C-TFM-NBOMe, with the CAS registry number 1027161-33-6, is also known as 2,6-Difluorobenzoic acid methyl ester. This chemical's molecular formula is C₁₉H₂₂F₃NO₃ and molecular weight is 369.38. What's more, its systematic name is 2-[2,5-Dimethoxy-4-(trifluoromethyl)phenyl]-N-(2-methoxybenzyl)ethanamine. This chemical is a derivative of the phenethylamine hallucinogen 2C-TFM, discovered in 2004 by Ralf Heim at the Free University of Berlin. It acts as a potent partial agonist for the 5HT2A receptor, though its relative potency is disputed, with some studies finding it to be of lower potency than 25I-NBOMe, while others show it to be of similar or higher potency, possibly because of differences in the assay used.

Physical properties of 2C-TFM-NBOMe are: (1)ACD/LogP: 4.897; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 3.66; (6)ACD/BCF (pH 7.4): 94.52; (7)ACD/KOC (pH 5.5): 12.96; (8)ACD/KOC (pH 7.4): 334.81; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 39.72 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 93.533 cm³; (15)Molar Volume: 313.793 cm³; (16)Polarizability: 37.079×10^-24cm³; (17)Surface Tension: 32.8 dyne/cm; (18)Density: 1.177 g/cm³; (19)Flash Point: 221.307 °C; (20)Enthalpy of Vaporization: 69.977 kJ/mol; (21)Boiling Point: 442.319 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1c(OC)cc(c(OC)c1)CCNCc2ccccc2OC
(2)Std. InChI: InChI=1S/C19H22F3NO3/c1-24-16-7-5-4-6-14(16)12-23-9-8-13-10-18(26-3)15(19(20,21)22)11-17(13)25-2/h4-7,10-11,23H,8-9,12H2,1-3H3
(3)Std. InChIKey: FBHVTQIAHOTPAM-UHFFFAOYSA-N