<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-06 09:46:41 UTC</creation_date>
  <update_date>2026-08-28 14:32:03 UTC</update_date>
  <accession/>
  <common_name>(2R)-5-amino-2-(3-methoxyphenyl)-2-(propan-2-yl)pentanenitrile</common_name>
  <class>SmallMolecule</class>
  <description>(2R)-5-amino-2-(3-methoxyphenyl)-2-(propan-2-yl)pentanenitrile is an organic compound with the chemical formula C15H22N2O and an average molecular weight of 246.35 g/mol. (2R)-5-amino-2-(3-methoxyphenyl)-2-(propan-2-yl)pentanenitrile belongs to the phenylbutylamines, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is found in or released from 13 recorded sources across several sectors. In electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. It is also present in food packaging from the food, food processing and cookware sector, as well as in medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is found in lubricants used in both energy, oil and gas, and industrial manufacturing and chemical processing, along with one other sector. Recorded exposure routes for this compound include inhalation, oral, and touch.</description>
  <categories/>
  <types>
    <type>PFAS</type>
  </types>
  <synonyms/>
  <chemical_formula>C15H22N2O</chemical_formula>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight>246.1732133</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number/>
  <smiles>CC(C)[C@@](CCCN)(C#N)C1=CC(=CC=C1)OC</smiles>
  <inchi>InChI=1S/C15H22N2O/c1-12(2)15(11-17,8-5-9-16)13-6-4-7-14(10-13)18-3/h4,6-7,10,12H,5,8-9,16H2,1-3H3/t15-/m1/s1</inchi>
  <inchikey>BQGFPUBUNKYGEY-OAHLLOKOSA-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>
    <property>
      <kind>logp</kind>
      <value>2.5</value>
    </property>
  </experimental_properties>
  <predicted_properties>
    <property>
      <kind>mono_mass</kind>
      <value>246.1732133</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>CC(C)[C@@](CCCN)(C#N)C1=CC(=CC=C1)OC</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>C15H22N2O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/C15H22N2O/c1-12(2)15(11-17,8-5-9-16)13-6-4-7-14(10-13)18-3/h4,6-7,10,12H,5,8-9,16H2,1-3H3/t15-/m1/s1</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>BQGFPUBUNKYGEY-OAHLLOKOSA-N</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
  <route_of_exposure/>
  <mechanism_of_toxicity/>
  <metabolism/>
  <toxicity/>
  <lethaldose/>
  <carcinogenicity/>
  <use_source/>
  <min_risk_level/>
  <health_effects>#&lt;HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f721f914748&gt;</health_effects>
  <symptoms/>
  <treatment/>
  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>154699515</pubchem_compound_id>
  <chembl_id/>
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  <biocyc_id/>
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  <wikipidia/>
  <general_references/>
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</compound>
