6-fluoro-2-methyl-3h-isoindol-1-imine (CED0316320)

Record Information

Version

1.0

Creation Date

2026-09-01 17:33:49 UTC

Update Date

2026-09-01 17:33:49 UTC

SynCED ID

CED0316320

Secondary Accession Numbers

CHEM362299

Identification

Common Name

6-fluoro-2-methyl-3h-isoindol-1-imine

Class

Small Molecule

Description

6-fluoro-2-methyl-3h-isoindol-1-imine is a chemical compound with the formula C9H9FN2. It has an average molecular weight of 164.18 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉FN₂

Average Molecular Mass

Not Available

Monoisotopic Mass

164.075 g/mol

CAS Registry Number

1342952-36-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CN1CC2=C(C1=N)C=C(C=C2)F

InChI Identifier

InChI=1S/C9H9FN2/c1-12-5-6-2-3-7(10)4-8(6)9(12)11/h2-4,11H,5H2,1H3

InChI Key

JPSNZZQYGYXIOG-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
257.0 Log mg/kg [140:460]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
No Sources linked to this compound

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.292 Low confidence Statistical Significance 0.1287 Supporting Reference Compounds 593 E-value 1001.76
Click to view 3D structure	Leucine--tRNA ligase, cytoplasmic	P26637	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.262 Low confidence Statistical Significance 1.60e-04 Supporting Reference Compounds 1 E-value 1.24559
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.286 Low confidence Statistical Significance 0.1365 Supporting Reference Compounds 528 E-value 1062.64
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.288 Low confidence Statistical Significance 0.2413 Supporting Reference Compounds 1103 E-value 1878.74
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.294 Low confidence Statistical Significance 0.1097 Supporting Reference Compounds 380 E-value 853.695
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.288 Low confidence Statistical Significance 0.2064 Supporting Reference Compounds 861 E-value 1607.2
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.288 Low confidence Statistical Significance 0.2534 Supporting Reference Compounds 955 E-value 1972.47
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.292 Low confidence Statistical Significance 0.1593 Supporting Reference Compounds 506 E-value 1240.14
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.292 Low confidence Statistical Significance 0.1414 Supporting Reference Compounds 451 E-value 1100.48
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.288 Low confidence Statistical Significance 0.253 Supporting Reference Compounds 953 E-value 1969.35
Click to view 3D structure	ALK tyrosine kinase receptor	Q9UM73	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.281 Low confidence Statistical Significance 0.2964 Supporting Reference Compounds 708 E-value 2307.45
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.294 Low confidence Statistical Significance 0.1854 Supporting Reference Compounds 541 E-value 1443.32
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.286 Low confidence Statistical Significance 0.0714 Supporting Reference Compounds 203 E-value 555.999
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.286 Low confidence Statistical Significance 0.1069 Supporting Reference Compounds 297 E-value 832.13
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.292 Low confidence Statistical Significance 0.4996 Supporting Reference Compounds 1130 E-value 3889.27
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.288 Low confidence Statistical Significance 0.2173 Supporting Reference Compounds 565 E-value 1691.66
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.259 Low confidence Statistical Significance 0.1706 Supporting Reference Compounds 425 E-value 1327.87
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.255 Low confidence Statistical Significance 0.3175 Supporting Reference Compounds 823 E-value 2471.4
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.255 Low confidence Statistical Significance 0.2504 Supporting Reference Compounds 524 E-value 1949.58
Click to view 3D structure	D(4) dopamine receptor	P30729	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.288 Low confidence Statistical Significance 0.0721 Supporting Reference Compounds 92 E-value 560.982
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.294 Low confidence Statistical Significance 0.1112 Supporting Reference Compounds 185 E-value 865.839
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.255 Low confidence Statistical Significance 0.2631 Supporting Reference Compounds 507 E-value 2048.37
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.25 Low confidence Statistical Significance 0.2194 Supporting Reference Compounds 385 E-value 1707.93
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.273 Low confidence Statistical Significance 0.1087 Supporting Reference Compounds 206 E-value 846.221
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.236 Applicability Domain 0.255 Low confidence Statistical Significance 0.258 Supporting Reference Compounds 487 E-value 2008.74