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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:01:18 UTC
Update Date2025-03-25 00:54:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02204212
Frequency0.5
Structure
Chemical FormulaC20H19BrN2
Molecular Mass366.0732
SMILESBrc1ccc(C(CCNc2ccccc2)c2ccccn2)cc1
InChI KeyPIKAHRFDDWWBLX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent phenylalkylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • aryl bromides
  • azacyclic compounds
  • bromobenzenes
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organobromides
  • organopnictogen compounds
  • pyridines and derivatives
  • secondary alkylarylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • bromobenzene
  • secondary amine
  • organohalogen compound
  • secondary aliphatic/aromatic amine
  • aryl halide
  • pyridine
  • organobromide
  • organopnictogen compound
  • phenylalkylamine
  • hydrocarbon derivative
  • benzenoid
  • 2-halopyridine
  • halobenzene
  • aryl bromide
  • organoheterocyclic compound