1-(3,4-dichlorophenyl)-n-methylmethanamine (CED0218651)

Record Information
Version1.0
Creation Date2026-08-25 04:42:07 UTC
Update Date2026-08-25 04:42:07 UTC
SynCED IDCED0218651
Secondary Accession Numbers
  • CHEM259738
Identification
Common Name1-(3,4-dichlorophenyl)-n-methylmethanamine
ClassSmall Molecule
Description
1-(3,4-dichlorophenyl)-n-methylmethanamine belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C8H9Cl2N and an average molecular weight of 190.07 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H9Cl2N
Average Molecular Mass190.070 g/mol
Monoisotopic Mass189.011 g/mol
CAS Registry Number5635-67-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)8(10)4-6/h2-4,11H,5H2,1H3
InChI KeyXOEHPEYVNJXYEN-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
843.0 Log mg/kg [470:1500]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000563Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.Household cleaning & consumer productsPubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.417
Statistical Significance
0.0295
Supporting Reference Compounds
562
E-value
229.811
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.366
Statistical Significance
0.0154
Supporting Reference Compounds
451
E-value
119.888
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.337
Applicability Domain
0.366
Statistical Significance
0.044
Supporting Reference Compounds
1130
E-value
342.303
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.474
Statistical Significance
0.0494
Supporting Reference Compounds
955
E-value
384.264
Click to view 3D structureCeramide synthase 1P27545Mus musculusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Click to view 3D structureCeramide synthase 4Q9HA82HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Ceramide synthase 6 structureClick to view 3D structureCeramide synthase 6Q6ZMG9HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Click to view 3D structureCeramide synthase 2Q924Z4Mus musculusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Ceramide synthase 5 structureClick to view 3D structureCeramide synthase 5Q9D6K9Mus musculusPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Click to view 3D structureCeramide synthase 1P27544HumansPredicted (SEA)
Prediction Confidence Score
0.326
Applicability Domain
0.326
Statistical Significance
2.10e-04
Supporting Reference Compounds
1
E-value
1.63483
Click to view 3D structureGlycogen phosphorylase, muscle formP09812Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.321
Statistical Significance
4.20e-04
Supporting Reference Compounds
1
E-value
3.26967
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.341
Statistical Significance
0.1039
Supporting Reference Compounds
1538
E-value
808.931
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.316
Applicability Domain
0.341
Statistical Significance
0.0452
Supporting Reference Compounds
825
E-value
351.567
Click to view 3D structureSigma intracellular receptor 2Q5U3Y7Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.417
Statistical Significance
0.0146
Supporting Reference Compounds
110
E-value
114.049
Click to view 3D structureDNA polymerase III subunit alphaO34623Bacillus subtilis (strain 168)Predicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.321
Statistical Significance
1.00e-04
Supporting Reference Compounds
2
E-value
0.778492
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.391
Statistical Significance
0.0689
Supporting Reference Compounds
727
E-value
536.381
Click to view 3D structureSigma intracellular receptor 2Q5BJF2HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.417
Statistical Significance
0.0284
Supporting Reference Compounds
308
E-value
220.936
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.306
Applicability Domain
0.417
Statistical Significance
0.0319
Supporting Reference Compounds
229
E-value
248.261
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.348
Statistical Significance
0.0602
Supporting Reference Compounds
532
E-value
468.497
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.391
Statistical Significance
0.0938
Supporting Reference Compounds
906
E-value
730.381
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.3
Statistical Significance
0.0387
Supporting Reference Compounds
199
E-value
301.276
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
0.474
Statistical Significance
0.0136
Supporting Reference Compounds
593
E-value
105.797
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.38
Applicability Domain
0.474
Statistical Significance
0.0399
Supporting Reference Compounds
1498
E-value
310.385
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.366
Statistical Significance
0.015
Supporting Reference Compounds
506
E-value
117.085
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.343
Applicability Domain
0.391
Statistical Significance
0.0335
Supporting Reference Compounds
742
E-value
260.795
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available