<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 16:20:30 UTC</creation_date>
  <update_date>2026-05-20 18:29:10 UTC</update_date>
  <accession/>
  <common_name>Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride</common_name>
  <class>SmallMolecule</class>
  <description>Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride is an organic compound with the formula $\text{C}_{16}\text{H}_{17}\text{NO}_2$ and an average molecular weight of 291.78 g/mol. Ethanone, 1-(3-hydroxyphenyl)-2-[methyl(phenylmethyl)amino]-, hydrochloride belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds.

The compound has been identified in or released from 19 recorded sources. These include various types of drinking water and water supplies, such as bottled water, tap water, desalinated water, and drinking water. It is also present in aquatic systems and sediments, including freshwater, seawater, groundwater, and surface water. Within wastewater, sanitation, and biosolids, the compound is found in unspecified wastewater, wastewater treatment effluent, mine wastewater, and industrial wastewater. Additionally, it has been detected in appliances, HVAC, and refrigerants, specifically in water heaters and water coolers. In the marine, shipping, and aquaculture sectors, it is found in bilge water and ballast water, while agriculture and land management sources include irrigation water. Two further sectors have also been recorded. Human exposure to this compound can occur through oral, inhalation, and touch routes.</description>
  <categories/>
  <types>
    <type>PMT</type>
  </types>
  <synonyms/>
  <chemical_formula>C16H17NO2</chemical_formula>
  <average_molecular_weight>291.78</average_molecular_weight>
  <monisotopic_moleculate_weight>255.1259288</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>Cl.CN(CC(=O)C1=CC(O)=CC=C1)CC1=CC=CC=C1</smiles>
  <inchi>InChI=1S/C16H17NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,18H,11-12H2,1H3/q+1</inchi>
  <inchikey>XZXKMYOWHGSGAD-UHFFFAOYSA-N</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>291.78</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>255.1259288</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>Cl.CN(CC(=O)C1=CC(O)=CC=C1)CC1=CC=CC=C1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C16H17NO2</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C16H17NO2/c1-17(11-13-6-3-2-4-7-13)12-16(19)14-8-5-9-15(18)10-14/h2-10,18H,11-12H2,1H3/q+1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>XZXKMYOWHGSGAD-UHFFFAOYSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
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  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c6f2a0&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
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  <chebi_id/>
  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
