Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,2-trifluoro-

Substructure search Find similar structures

Basic information

CAS: 13230-71-2
Standard SMILES: COc1ccc(CCNC(=O)C(F)(F)F)cc1OC
InChIKey: RIULCRYOMGKNSV-UHFFFAOYSA-N
Molecular formula: C12H14F3NO3
Average molar mass: 277.24 g/mol
Monoisotopic mass: 277.09257779

Names & identifiers

Preferred name: Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,2-trifluoro-
IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamide
English name: Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,2-trifluoro-
Molecular formula: C12H14F3NO3
Molecular weight: 277.24

Names & synonyms

13230-71-2N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,2-trifluoroacetamideAcetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-2,2,2-trifluoro-Acetamide, N-(3,4-dimethoxyphenethyl)-2,2,2-trifluoro-N-(2-(3,4-Dimethoxyphenyl)ethyl)-2,2,2-trifluoroacetamideDTXSID10157473Acetamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoro-RefChem:314980DTXCID6079964SCHEMBL1968355STK215391AKOS003277229

Show more names

Benzenethanamine, N-TFA-4,5-dimethoxy-Benzeneethanamine, 3,4-dimethoxy-N-TFA-AB00113559-013,4-Dimethoxyphenylethylamine, N-trifluoroacetyl-AG-777/25006510SR-01000239950Benzenethanamine, N-trifluoroacetyl-3,4-dimethoxy-N-[2-(3,4-dimethoxyphenyl)ethyl]trifluoroacetamide

Database identifiers

CAS: 13230-71-2
PubChem CID: 592128
DTXSID: DTXSID10157473
Nikkaji: J607.440E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 47.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 296

Chemistry & industry

Upstream & downstream products

Downstream products

(R)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline

Related reactions

3 records

New reaction record

HRID 76323As reactantuspto-grants-2014_09

HRID 208971As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1164968As reactantuspto-grants-1990_03

Compound notes

Loading…