Basic information
- CAS
67367-70-8- Standard SMILES
CN(CC(=O)c1c2c(cc3c1CCC3)CCC2)Cc1ccccc1- InChIKey
QWOHHXKXDPDOED-UHFFFAOYSA-N- Molecular formula
- C22H25NO
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.19361442
Names & identifiers
- Preferred name
- 2-[Benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
- IUPAC
- 2-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
- English name
- 4-[[Benzyl(methyl)amino]acetyl]-1,2,3,5,6,7-hexahydro-s-indacene
- Molecular formula
- C22H25NO
- Molecular weight
- 319.44
Names & synonyms
2-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone67367-70-8DTXSID002755542-[benzyl(methyl)amino]-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethan-1-oneVUFB-10602VUFB-10596VUFB-10595Reaxys ID: 39810364-[(Dipropylamino)acetyl]-s-hydrindacene4-[[Benzyl(methyl)amino]acetyl]-1,2,3,5,6,7-hexahydro-s-indacene1-[(1,2,3,5,6,7-Hexahydro-s-indacen)-4-yl]-2-[methyl(phenylmethyl)amino]ethanoneEthanone, 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-[methyl(phenylmethyl)amino]-
Database identifiers
- CAS
67367-70-8- PubChem CID
- 49815
- DTXSID
DTXSID00275554- Nikkaji
- J395.316E
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…