2-chloro-n-ethyl-n-[(2-methylphenyl)methyl]ethanamine (CED0126844)

Record Information
Version1.0
Creation Date2026-08-18 19:31:32 UTC
Update Date2026-08-18 19:31:32 UTC
Accession NumberCHEM167274
Identification
Common Name2-chloro-n-ethyl-n-[(2-methylphenyl)methyl]ethanamine
ClassSmall Molecule
Description
2-chloro-n-ethyl-n-[(2-methylphenyl)methyl]ethanamine is an organic compound with the formula C12H18ClN and an average molecular weight of 211.73 g/mol. 2-chloro-n-ethyl-n-[(2-methylphenyl)methyl]ethanamine belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from five recorded sources. These include soap detergents used in household cleaning and consumer products, as well as the preparation of wort within food, food processing and cookware. Additionally, it is associated with electrical and electronic equipment, specifically conductors or conductive bodies characterised by the conductive materials, electrodes, and fixed capacitors and their manufacture.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC12H18ClN
Average Molecular Mass211.730 g/mol
Monoisotopic Mass211.113 g/mol
CAS Registry Number78686-02-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H18ClN/c1-3-14(9-8-13)10-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3
InChI KeyXHRCFGDFESIFRG-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
974.0Log mg/kg[550:1700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
511Conductors Or Conductive Bodies Characterised By The Conductive MaterialsElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
654Sleeve LinksTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)153.752
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)97.4672
Click to view 3D structureAcetylcholinesteraseP37136Rattus norvegicusPredicted (SEA)56.3628
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)245.77
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)250.363
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)323.23
Amyloid-beta precursor protein structureClick to view 3D structureAmyloid-beta precursor proteinP05067HumansPredicted (SEA)172.67
5-hydroxytryptamine receptor 6 structureClick to view 3D structure5-hydroxytryptamine receptor 6P50406HumansPredicted (SEA)730.07
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)995.069
Click to view 3D structureProtein arginine N-methyltransferase 1Q63009Rattus norvegicusPredicted (SEA)2.56902
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)900.171
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)773.743
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)738.478
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)690.445
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)658.916
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)2000.65
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)1317.68
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)1045.05
Click to view 3D structurePancreatic alpha-amylaseP00689Rattus norvegicusPredicted (SEA)8.64126
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)570.946
Click to view 3D structureMuscarinic acetylcholine receptor M2P10980Rattus norvegicusPredicted (SEA)192.521
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)4461.38
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)3912.62
Click to view 3D structureAmino acid transporterQ9Z1J7Rattus norvegicusPredicted (SEA)30.5947
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)2404.37
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available