Basic information
- CAS
42773-59-1- Standard SMILES
CC[NH2+]CCCN1C(=O)C(OC)(c2ccccc2)c2ccccc21.[Cl-]- InChIKey
OLNKZIUELNDUOW-UHFFFAOYSA-N- Molecular formula
- C20H25ClN2O2
- Average molar mass
- 360.9 g/mol
- Monoisotopic mass
- 360.1604557
Names & identifiers
- Preferred name
- 2H-Indol-2-one, 1,3-dihydro-1-(3-(ethylamino)propyl)-3-methoxy-3-phenyl-, hydrochloride, hemihydrate (2:2:1)
- IUPAC
- ethyl-[3-(3-methoxy-2-oxo-3-phenylindol-1-yl)propyl]azanium chloride
Names & synonyms
42773-59-11,3-Dihydro-1-(3-(ethylamino)propyl)-3-methoxy-3-phenyl-2H-indol-2-one hydrochloride hydrate2H-Indol-2-one, 1,3-dihydro-1-(3-(ethylamino)propyl)-3-methoxy-3-phenyl-, hydrochloride, hemihydrate (2:2:1)RefChem:268694
Database identifiers
- CAS
42773-59-1- PubChem CID
- 39261
Properties
Computed structural properties
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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