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Basic information
- Standard SMILES
CN(CCc1ccccc1)CC1CCOc2ccccc2C1=O- InChIKey
WWSFOKIAZQSRRO-UHFFFAOYSA-N- Molecular formula
- C20H23NO2
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.17287898
Names & identifiers
- Preferred name
- (RS)-4-[(methyl-phenethyl-amino)-methyl]-3,4-dihydro-2H-benzo[b]oxepin-5-one
- IUPAC
- 4-[[methyl(2-phenylethyl)amino]methyl]-3,4-dihydro-2H-1-benzoxepin-5-one
Names & synonyms
SCHEMBL7609681WWSFOKIAZQSRRO-UHFFFAOYSA-N(RS)-4-[(methyl-phenethyl-amino)-methyl]-3,4-dihydro-2H-benzo[b]oxepin-5-one
Database identifiers
- PubChem CID
- 19367697
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Related reactions
1 records
Compound notes
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