| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:08 UTC |
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| Update Date | 2025-03-21 18:40:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129746 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C9H13ClN2O |
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| Molecular Mass | 200.0716 |
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| SMILES | NCC(N)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | KMFJCBNOYANSHN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chlorideschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganochloridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | aryl chloride2-chlorophenolchlorobenzeneorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compoundamphetamine or derivatives |
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