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CHEBI:180519 - Benzeneethanamine, 2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-4-nitro-

ChEBI IDCHEBI:180519
ChEBI NameBenzeneethanamine, 2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-4-nitro-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N2O5
Net Charge0
Average Mass346.383
Monoisotopic Mass346.15287
SMILESCOc1cc([N+](=O)[O-])c(OC)cc1CCNCc1ccccc1OC
InChIInChI=1S/C18H22N2O5/c1-23-16-7-5-4-6-14(16)12-19-9-8-13-10-18(25-3)15(20(21)22)11-17(13)24-2/h4-7,10-11,19H,8-9,12H2,1-3H3
InChIKeyTXCKTIBHURMASQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
Benzeneethanamine, 2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-4-nitro- (CHEBI:180519) is a C-nitro compound (CHEBI:35716)
Benzeneethanamine, 2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-4-nitro- (CHEBI:180519) is a aromatic ether (CHEBI:35618)
IUPAC Name 
2-(2,5-dimethoxy-4-nitrophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
Manual XrefsDatabases
52085577ChemSpider
Registry NumbersSources
CAS:1354632-03-3ChemIDplus