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

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ChEBI Name	Benzeneethanamine, 2,5-dimethoxy-N-((2-methoxyphenyl)methyl)-4-nitro-

ChEBI ID	CHEBI:180519

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C18H22N2O5

Net Charge

Average Mass

346.383

Monoisotopic Mass

346.15287

InChI

InChI=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

InChIKey

TXCKTIBHURMASQ-UHFFFAOYSA-N

SMILES

O(C=1C(CCNCC=2C(OC)=CC=CC2)=CC(OC)=C([N+]([O-])=O)C1)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	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

Registry Number	Type	Source
1354632-03-3	CAS Registry Number	ChemIDplus