Summary

IMPPAT Phytochemical identifier: IMPHY007454

Phytochemical name: N-Methyltyramine

Synonymous chemical names:
n-me-tyramine, n-methyl tyramine, n-methyltyramine

External chemical identifiers:
CID:9727, ChEBI:17458, ZINC:ZINC000001529432, FDASRS:G3S4E2F7TA, SureChEMBL:SCHEMBL274906, MolPort-000-004-746

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Chemical structure information

SMILES:
CNCCc1ccc(cc1)O

InChI:
InChI=1S/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3

InChIKey:
AXVZFRBSCNEKPQ-UHFFFAOYSA-N

DeepSMILES:
CNCCcccccc6))O

Functional groups:
CNC, cO

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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: 0.625

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Chemical structure download