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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:20 UTC
Update Date2025-03-21 18:35:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106247
Frequency25.4
Structure
Chemical FormulaC16H17Br2N
Molecular Mass380.9728
SMILESCNCCC(c1ccc(Br)cc1)c1ccc(Br)cc1
InChI KeyOXSLPXGBDNPORT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass diphenylmethanes
Direct Parent diphenylmethanes
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • aryl bromides
  • bromobenzenes
  • dialkylamines
  • hydrocarbon derivatives
  • organobromides
  • organopnictogen compounds
    • Substituents
  • diphenylmethane
  • secondary aliphatic amine
  • bromobenzene
  • secondary amine
  • organohalogen compound
  • aryl halide
  • aromatic homomonocyclic compound
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • halobenzene
  • aryl bromide
  • amine