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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:11 UTC
Update Date2025-03-25 00:49:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172013
Frequency0.5
Structure
Chemical FormulaC18H22N2
Molecular Mass266.1783
SMILESCNC1CCC(c2cnc(C)c(C)c2)c2ccccc21
InChI KeyTXRRVYPAGPBKQJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classtetralins
Subclass tetralins
Direct Parent tetralins
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • organopnictogen compounds
  • polyhalopyridines
    • Substituents
  • tetralin
  • secondary aliphatic amine
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • methylpyridine
  • secondary amine
  • pyridine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • 2-halopyridine
  • organic nitrogen compound
  • organoheterocyclic compound
  • amine