(2r)-n-methyl-1-phenyl-n-prop-2-ynylpropan-2-amine (CED0056391)

Record Information
Version1.0
Creation Date2026-08-19 00:58:04 UTC
Update Date2026-08-19 00:58:04 UTC
Accession NumberCHEM173296
Identification
Common Name(2r)-n-methyl-1-phenyl-n-prop-2-ynylpropan-2-amine
ClassSmall Molecule
Description
(2r)-n-methyl-1-phenyl-n-prop-2-ynylpropan-2-amine belongs to the phenethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C13H17N and an average molecular weight of 187.28 g/mol. The substance has been identified in or released from eight recorded sources across two primary categories. Within electrical and electronic equipment, it is associated with antennas, power cables, radio transmission systems, and electrically stimulated smoking devices. Additionally, the compound is found in household cleaning and consumer products, specifically including tobacco smoke filters, cigar cigarettes, non electric simulated smoking devices, and other smoking requisites.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC13H17N
Average Molecular Mass187.280 g/mol
Monoisotopic Mass187.136 g/mol
CAS Registry Number14611-51-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/m1/s1
InChI KeyMEZLKOACVSPNER-GFCCVEGCSA-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
241.0Log mg/kg[140:430]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
506AntennasElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
602MolluscicidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
662Yarns Or ThreadsTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureAmine oxidase [flavin-containing] BP19643Rattus norvegicusPredicted (SEA)1.63483
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)4.20386
Click to view 3D structureAmine oxidase [flavin-containing] AP21396Rattus norvegicusPredicted (SEA)1.24559
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)3.34752
Click to view 3D structureButyrylcholinesteraseQ9N1N9Equus caballusPredicted (SEA)12.5337
Click to view 3D structureCholinesteraseP81908Equus caballusPredicted (SEA)42.0386
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)33.9423
Click to view 3D structureAmine oxidase [flavin-containing] AP21398Bos taurusPredicted (SEA)0.233548
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)56.285
Click to view 3D structureCytochrome P450 2B1P00176RatPredicted (SEA)0.0778492
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)83.2987
Alpha-synuclein structureClick to view 3D structureAlpha-synucleinP37840HumansPredicted (SEA)3.58106
Click to view 3D structureAmine oxidase [flavin-containing] BP56560Bos taurusPredicted (SEA)0.0778492
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)13.3122
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)95.9102
Click to view 3D structureTrace amine-associated receptor 1Q923Y8Mus musculusPredicted (SEA)11.2103
Click to view 3D structureTrace amine-associated receptor 1Q8HZ64Macaca mulattaPredicted (SEA)2.17978
Click to view 3D structureTrace amine-associated receptor 1Q923Y9Rattus norvegicusPredicted (SEA)10.4318
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)476.048
Click to view 3D structureAldehyde dehydrogenase, mitochondrialP11884Rattus norvegicusPredicted (SEA)0.155698
Click to view 3D structureAcetylcholinesteraseO42275Electrophorus electricusPredicted (SEA)197.036
Click to view 3D structureMast cell carboxypeptidase AP15088HumansPredicted (SEA)18.3724
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)357.172
Click to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)127.517
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)310.073
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available