(1-Methylaminopropyl)benzene (CED0137252)

Record Information
Version1.0
Creation Date2026-04-05 10:44:33 UTC
Update Date2026-08-18 01:18:49 UTC
SynCED IDCED0137252
Secondary Accession Numbers
  • CHEM099456
Identification
Common Name(1-Methylaminopropyl)benzene
ClassSmall Molecule
Description
(1-Methylaminopropyl)benzene belongs to the phenylpropylamines, a subclass of benzene and substituted derivatives within the organic compounds. It is categorized under the superclass of benzenoids. This compound has the chemical formula C10H15N and an average molecular weight of 149.24 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC10H15N
Average Molecular Mass149.237 g/mol
Monoisotopic Mass149.120 g/mol
CAS Registry Number7713-71-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCC(NC)C1=CC=CC=C1
InChI IdentifierInChI=1S/C10H15N/c1-3-10(11-2)9-7-5-4-6-8-9/h4-8,10-11H,3H2,1-2H3
InChI KeyYELGXBUYFOSFJM-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
44.0 Log mg/kg [20:78]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
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
CEDs000738Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.Industrial manufacturing & chemical processingPubChem
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.37
Statistical Significance
0.0122
Supporting Reference Compounds
118
E-value
95.0539
Neuromedin-K receptor structureClick to view 3D structureNeuromedin-K receptorP29371HumansPredicted (SEA)
Prediction Confidence Score
0.338
Applicability Domain
0.37
Statistical Significance
0.0139
Supporting Reference Compounds
57
E-value
108.055
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.336
Applicability Domain
0.4
Statistical Significance
0.0017
Supporting Reference Compounds
63
E-value
13.3901
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.325
Statistical Significance
0.1231
Supporting Reference Compounds
1498
E-value
958.168
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.333
Statistical Significance
0.079
Supporting Reference Compounds
1130
E-value
615.398
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q923Y8Mus musculusPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.4
Statistical Significance
0.0014
Supporting Reference Compounds
18
E-value
11.0546
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.37
Statistical Significance
0.0698
Supporting Reference Compounds
955
E-value
543.777
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.325
Statistical Significance
0.0313
Supporting Reference Compounds
451
E-value
243.357
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.304
Applicability Domain
0.4
Statistical Significance
0.0586
Supporting Reference Compounds
562
E-value
455.885
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.303
Applicability Domain
0.325
Statistical Significance
0.0379
Supporting Reference Compounds
506
E-value
295.282
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.302
Statistical Significance
0.0022
Supporting Reference Compounds
1
E-value
16.8154
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.302
Applicability Domain
0.325
Statistical Significance
0.0486
Supporting Reference Compounds
593
E-value
378.269
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.37
Statistical Significance
0.0494
Supporting Reference Compounds
507
E-value
384.419
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.364
Statistical Significance
0.0542
Supporting Reference Compounds
686
E-value
422.021
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.298
Applicability Domain
0.325
Statistical Significance
0.0206
Supporting Reference Compounds
203
E-value
160.292
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.325
Statistical Significance
0.0328
Supporting Reference Compounds
297
E-value
255.501
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.314
Statistical Significance
0.0341
Supporting Reference Compounds
385
E-value
265.544
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.296
Applicability Domain
0.314
Statistical Significance
0.0242
Supporting Reference Compounds
310
E-value
188.239
Click to view 3D structureTransporterQ63380Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.325
Statistical Significance
0.0048
Supporting Reference Compounds
54
E-value
37.4455
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.362
Statistical Significance
0.205
Supporting Reference Compounds
1538
E-value
1596.3
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.291
Applicability Domain
0.314
Statistical Significance
0.0842
Supporting Reference Compounds
823
E-value
655.49
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.37
Statistical Significance
0.0487
Supporting Reference Compounds
380
E-value
379.281
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.314
Statistical Significance
0.0263
Supporting Reference Compounds
266
E-value
204.899
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.289
Applicability Domain
0.314
Statistical Significance
0.0293
Supporting Reference Compounds
297
E-value
228.487
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)
Prediction Confidence Score
0.282
Applicability Domain
0.362
Statistical Significance
0.1209
Supporting Reference Compounds
825
E-value
941.197
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available