N-[(3-fluorophenyl)methyl]ethanamine (CED0221380)

Record Information
Version1.0
Creation Date2026-08-25 10:15:05 UTC
Update Date2026-08-25 10:15:05 UTC
SynCED IDCED0221380
Secondary Accession Numbers
  • CHEM263208
Identification
Common NameN-[(3-fluorophenyl)methyl]ethanamine
ClassSmall Molecule
Description
N-[(3-fluorophenyl)methyl]ethanamine belongs to the phenylmethylamines, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C9H12FN and an average molecular weight of 153.20 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H12FN
Average Molecular Mass153.200 g/mol
Monoisotopic Mass153.095 g/mol
CAS Registry Number90389-85-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H12FN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
InChI KeyQAPAPLIQQTVEJZ-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
266.0 Log mg/kg [150:470]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
CEDs000545Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.Food, food processing & cookwarePubChem
CEDs000611Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000617Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.Personal care & cosmeticsPubChem
CEDs000618Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.Personal care & cosmeticsPubChem
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
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.37
Applicability Domain
0.429
Statistical Significance
0.0093
Supporting Reference Compounds
506
E-value
72.1662
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.364
Applicability Domain
0.429
Statistical Significance
0.0061
Supporting Reference Compounds
207
E-value
47.1766
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)
Prediction Confidence Score
0.349
Applicability Domain
0.429
Statistical Significance
0.0125
Supporting Reference Compounds
451
E-value
97.3115
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.348
Applicability Domain
0.429
Statistical Significance
0.0213
Supporting Reference Compounds
593
E-value
166.13
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.345
Applicability Domain
0.429
Statistical Significance
0.0317
Supporting Reference Compounds
861
E-value
246.626
Histamine H1 receptor structureClick to view 3D structureHistamine H1 receptorP35367HumansPredicted (SEA)
Prediction Confidence Score
0.341
Applicability Domain
0.366
Statistical Significance
0.0221
Supporting Reference Compounds
507
E-value
172.047
Alanine--glyoxylate aminotransferase structureClick to view 3D structureAlanine--glyoxylate aminotransferaseP21549HumansPredicted (SEA)
Prediction Confidence Score
0.333
Applicability Domain
0.441
Statistical Significance
1.00e-04
Supporting Reference Compounds
2
E-value
0.778492
Nitric oxide synthase 1 structureClick to view 3D structureNitric oxide synthase 1P29476Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.331
Applicability Domain
0.435
Statistical Significance
7.30e-04
Supporting Reference Compounds
49
E-value
5.68299
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.325
Applicability Domain
0.366
Statistical Significance
0.0104
Supporting Reference Compounds
297
E-value
80.9632
Click to view 3D structureProhibitin-2O35129Mus musculusPredicted (SEA)
Prediction Confidence Score
0.321
Applicability Domain
0.321
Statistical Significance
4.00e-05
Supporting Reference Compounds
1
E-value
0.311397
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.366
Statistical Significance
0.0103
Supporting Reference Compounds
266
E-value
80.5739
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.318
Applicability Domain
0.348
Statistical Significance
0.0567
Supporting Reference Compounds
955
E-value
441.561
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.366
Statistical Significance
0.0166
Supporting Reference Compounds
373
E-value
129.308
Histamine H2 receptor structureClick to view 3D structureHistamine H2 receptorP25021HumansPredicted (SEA)
Prediction Confidence Score
0.317
Applicability Domain
0.429
Statistical Significance
0.014
Supporting Reference Compounds
256
E-value
108.833
Nitric oxide synthase 1 structureClick to view 3D structureNitric oxide synthase 1P29475HumansPredicted (SEA)
Prediction Confidence Score
0.315
Applicability Domain
0.435
Statistical Significance
0.001
Supporting Reference Compounds
65
E-value
8.17417
Nitric oxide synthase 3 structureClick to view 3D structureNitric oxide synthase 3P29473Bos taurusPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.435
Statistical Significance
3.80e-04
Supporting Reference Compounds
17
E-value
2.95827
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP29477Mus musculusPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.435
Statistical Significance
6.60e-04
Supporting Reference Compounds
47
E-value
5.13805
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)
Prediction Confidence Score
0.308
Applicability Domain
0.333
Statistical Significance
0.026
Supporting Reference Compounds
386
E-value
202.174
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.301
Applicability Domain
0.353
Statistical Significance
0.0613
Supporting Reference Compounds
562
E-value
477.138
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)
Prediction Confidence Score
0.293
Applicability Domain
0.4
Statistical Significance
0.1051
Supporting Reference Compounds
742
E-value
818.585
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.292
Applicability Domain
0.4
Statistical Significance
0.1187
Supporting Reference Compounds
834
E-value
924.382
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.29
Applicability Domain
0.375
Statistical Significance
0.112
Supporting Reference Compounds
1103
E-value
871.833
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.288
Applicability Domain
0.366
Statistical Significance
0.0455
Supporting Reference Compounds
229
E-value
354.448
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.302
Statistical Significance
0.0974
Supporting Reference Compounds
953
E-value
758.174
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.4
Statistical Significance
0.1211
Supporting Reference Compounds
735
E-value
943.065
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available