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CHEBI:7319 - N-methylmescaline

ChEBI IDCHEBI:7319
ChEBI NameN-methylmescaline
Stars
ASCII NameN-methylmescaline
DefinitionA member of the class of methoxybenzenes that is benzene substituted by a 2-(methylamino)ethyl at position 1 and by methoxy groups at positions 3, 4 , and 5.
Last Modified9 September 2024
DownloadsMolfile
FormulaC12H19NO3
Net Charge0
Average Mass225.288
Monoisotopic Mass225.13649
SMILESCNCCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3/h7-8,13H,5-6H2,1-4H3
InChIKeyOTXANOLOOUNVSR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N-methylmescaline (CHEBI:7319) has functional parent mescaline (CHEBI:28346)
N-methylmescaline (CHEBI:7319) has role plant metabolite (CHEBI:76924)
N-methylmescaline (CHEBI:7319) is a methoxybenzenes (CHEBI:51683)
N-methylmescaline (CHEBI:7319) is a phenethylamine alkaloid (CHEBI:38605)
N-methylmescaline (CHEBI:7319) is a secondary amino compound (CHEBI:50995)
N-methylmescaline (CHEBI:7319) is conjugate base of N-methylmescalinium (CHEBI:231781)
Incoming Relation(s)
N-methylmescalinium (CHEBI:231781) is conjugate acid of N-methylmescaline (CHEBI:7319)
IUPAC Name 
N-methyl-2-(3,4,5-trimethoxyphenyl)ethanamine
Synonyms  Source
N-methyl-2-(3,4,5-trimethoxyphenyl)ethan-1-amineChEBI
3,4,5-trimethoxy-N-methylbenzeneethanamineChEBI
N-methyl-3,4,5-trimethoxyphenethylamineChEBI
(methyl)[2-(3,4,5-trimethoxyphenyl)ethyl]amineChEBI
Manual XrefsDatabases
C08310KEGG COMPOUND
C00001421KNApSAcK
N-MethylmescalineWikipedia
Registry NumbersSources
CAS:4838-96-4NIST Chemistry WebBook
Citations