N-methyl-1-(2-methylphenyl)methanamine (CED0222049)

Record Information
Version1.0
Creation Date2026-08-25 11:31:45 UTC
Update Date2026-08-25 11:31:45 UTC
SynCED IDCED0222049
Secondary Accession Numbers
  • CHEM264043
Identification
Common NameN-methyl-1-(2-methylphenyl)methanamine
ClassSmall Molecule
Description
N-methyl-1-(2-methylphenyl)methanamine belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C9H13N and an average molecular weight of 135.21 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H13N
Average Molecular Mass135.210 g/mol
Monoisotopic Mass135.105 g/mol
CAS Registry Number874-33-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H13N/c1-8-5-3-4-6-9(8)7-10-2/h3-6,10H,7H2,1-2H3
InChI KeyYMWQUYQBTXWNAH-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
776.0 Log mg/kg [440:1400]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
CEDs000655Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.Textiles, leather & furnishingsPubChem
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionPubChem
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Interferon alpha/beta receptor 1 structureClick to view 3D structureInterferon alpha/beta receptor 1P17181HumansPredicted (SEA)
Prediction Confidence Score
0.429
Applicability Domain
0.429
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.344
Applicability Domain
0.375
Statistical Significance
0.0226
Supporting Reference Compounds
593
E-value
175.784
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.375
Statistical Significance
0.1062
Supporting Reference Compounds
1498
E-value
826.447
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.375
Statistical Significance
0.0227
Supporting Reference Compounds
451
E-value
176.951
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.357
Statistical Significance
0.042
Supporting Reference Compounds
506
E-value
326.655
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.295
Applicability Domain
0.368
Statistical Significance
0.0907
Supporting Reference Compounds
955
E-value
706.248
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.357
Statistical Significance
0.1285
Supporting Reference Compounds
1130
E-value
1000.21
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.333
Statistical Significance
0.0236
Supporting Reference Compounds
203
E-value
184.036
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.333
Statistical Significance
0.0362
Supporting Reference Compounds
297
E-value
281.503
Click to view 3D structureNorepinephrine transporterQ9WTR4Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.333
Statistical Significance
0.0125
Supporting Reference Compounds
112
E-value
97.7008
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0368
Supporting Reference Compounds
373
E-value
286.252
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0808
Supporting Reference Compounds
406
E-value
629.1
Cholinesterase structureClick to view 3D structureCholinesteraseP06276HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0531
Supporting Reference Compounds
234
E-value
413.691
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0752
Supporting Reference Compounds
385
E-value
585.348
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0517
Supporting Reference Compounds
266
E-value
402.169
Click to view 3D structureMuscarinic acetylcholine receptor M3Q8VH26Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0052
Supporting Reference Compounds
52
E-value
40.248
Chloride intracellular channel protein 1 structureClick to view 3D structureChloride intracellular channel protein 1O00299HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.267 Low confidence
Statistical Significance
0.001
Supporting Reference Compounds
1
E-value
7.94062
Cytochrome P450 1A2 structureClick to view 3D structureCytochrome P450 1A2P05177HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.357
Statistical Significance
0.21
Supporting Reference Compounds
793
E-value
1635.15
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0681
Supporting Reference Compounds
310
E-value
529.92
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.297 Low confidence
Statistical Significance
0.0652
Supporting Reference Compounds
297
E-value
507.421
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.357
Statistical Significance
0.4378
Supporting Reference Compounds
1538
E-value
3408.47
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.269 Low confidence
Statistical Significance
0.2078
Supporting Reference Compounds
823
E-value
1618.1
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.257
Applicability Domain
0.262 Low confidence
Statistical Significance
0.1895
Supporting Reference Compounds
686
E-value
1475.4
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.297 Low confidence
Statistical Significance
0.2248
Supporting Reference Compounds
953
E-value
1750.05
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.269 Low confidence
Statistical Significance
0.0793
Supporting Reference Compounds
258
E-value
617.111
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available