Basic information
- CAS
40281-34-3- Standard SMILES
CN(C)CC(C(=O)c1c[nH]c2ccccc12)c1ccccc1- InChIKey
NFLGRPGGSIWLGW-UHFFFAOYSA-N- Molecular formula
- C19H20N2O
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.15756327
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(1H-indol-3-yl)-2-phenylpropan-1-one
- IUPAC
- 3-(dimethylamino)-1-(1H-indol-3-yl)-2-phenylpropan-1-one
- English name
- 3-(Dimethylamino)-1-(1H-indol-3-yl)-2-phenyl-1-propanone
- Molecular formula
- C19H20N2O
- Molecular weight
- 292.37
Names & synonyms
3-(dimethylamino)-1-(1h-indol-3-yl)-2-phenylpropan-1-one40281-34-3DTXSID50960685RefChem:1067079DTXCID60138853054926-28-2BRN 0425951Indole, 3-(3-dimethylamino-1-oxo-2-phenyl)propyl-Propanone, 3-dimethylamino-1-(3-indolyl)-2-phenyl-5-22-13-00168 (Beilstein Handbook Reference)3-(Dimethylamino)-1-(1H-indol-3-yl)-2-phenyl-1-propanone1-Propanone, 3-(dimethylamino)-1-(1H-indol-3-yl)-2-phenyl-
Database identifiers
- CAS
40281-34-3- PubChem CID
- 218147
- DTXSID
DTXSID50960685- Nikkaji
- J51.020C
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- Boiling point
- 485.5 · 485.5±40.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 15.33 · 15.33±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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