2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
Basic information
- CAS
864445-39-6- Standard SMILES
CCCCCn1cc(C(=O)Cc2ccccc2C)c2ccccc21- InChIKey
YBIPNGRKUAVSBG-UHFFFAOYSA-N- Molecular formula
- C22H25NO
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.19361442
Names & identifiers
- Preferred name
- 2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
- IUPAC
- 2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanone
- English name
- 1-pentyl-3-(2-methylphenylacetyl)indole
- Molecular formula
- C22H25NO
- Molecular weight
- 319.44
Names & synonyms
JWH-251864445-39-655H9NDH32M2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanoneDTXSID80235555RefChem:150690DTXCID101580461-Pentyl-3-(2-methylphenylacetyl)indoleJWH 251UNII-55H9NDH32M2-(2-methylphenyl)-1-(1-pentylindol-3-yl)ethanoneCHEMBL364820
Show more names
JWH 251,JWH251JWH-251,1-pentyl-3-(2-Methylphenylacetyl)indoleEthanone, 2-(2-methylphenyl)-1-(1-pentyl-1H-indol-3-yl)-
1-(1-pentyl-1H-indol-3-yl)-2-o-tolylethanoneSCHEMBL24736111-(1-pentyl-1H-indol-3-yl)-2-(o-tolyl)ethan-1-oneSCHEMBL29387464SCHEMBL29410255YBIPNGRKUAVSBG-UHFFFAOYSA-N2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethan-1-oneBDBM50170339
Database identifiers
- CAS
864445-39-6- PubChem CID
- 11616723
- DTXSID
DTXSID80235555- ChEMBL
CHEMBL364820- UNII
- 55H9NDH32M
- Nikkaji
- J2.884.536G
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
Drugs
DEA NFLIS-Drug Category -> Synthetic Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Synthetic Cannabinoids
Collision Cross Section183.93 Ų [M+H]+
Physicochemical properties
- Boiling point
- 489.2 · 489.2±25.0 °C(Predicted)
- Density
- 1.03 · 1.03±0.1 g/cm3(Predicted)
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 2.5 mg/ml; Ethanol: 20 mg/ml
- form
- A crystalline solid
- FDA UNII
- 55 H9NDH32M · 55H9NDH32M
Chemistry & industry
Applications
UsesJWH 251 is a compound from the new class of cannabimimetic indoles.
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Compound notes
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