Summary

IMPPAT Phytochemical identifier: IMPHY008855

Phytochemical name: N-Methylmescaline

Synonymous chemical names:
n-methyl mescaline, n-methylmescaline

External chemical identifiers:
CID:138365, ChEMBL:CHEMBL100531, ChEBI:7319, ZINC:ZINC000001531060, SureChEMBL:SCHEMBL4320087

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Chemical structure information

SMILES:
CNCCc1cc(OC)c(c(c1)OC)OC

InChI:
InChI=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

InChIKey:
OTXANOLOOUNVSR-UHFFFAOYSA-N

DeepSMILES:
CNCCcccOC))ccc6)OC)))OC

Functional groups:
CNC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Phenethylamines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Phenylethylamines

NP-Likeness score: 0.44

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Chemical structure download