2,3,4,5-Tetrahydro-7,8-dimethoxy-5,5-dimethyl-2-(2-phenylethyl)-1H-2-benzazepine
Basic information
- CAS
33062-10-1- Standard SMILES
COc1cc2c(cc1OC)C(C)(C)CCN(CCc1ccccc1)C2- InChIKey
WAHXYKIVMDCCNC-UHFFFAOYSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.21982917
Names & identifiers
- Preferred name
- 2,3,4,5-Tetrahydro-7,8-dimethoxy-5,5-dimethyl-2-(2-phenylethyl)-1H-2-benzazepine
- IUPAC
- 7,8-dimethoxy-5,5-dimethyl-2-(2-phenylethyl)-3,4-dihydro-1H-2-benzazepine
Names & synonyms
DTXSID3011348052,3,4,5-Tetrahydro-7,8-dimethoxy-5,5-dimethyl-2-(2-phenylethyl)-1H-2-benzazepine33062-10-17,8-Dimethoxy-5,5-dimethyl-2-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
Database identifiers
- CAS
33062-10-1- PubChem CID
- 12234875
- DTXSID
DTXSID301134805
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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