Basic information
- Standard SMILES
COc1ccc(CN2CC3C=CC(C2)C3(OC)OC)cc1- InChIKey
MNGDJSILMFSJOB-UHFFFAOYSA-N- Molecular formula
- C17H23NO3
- Average molar mass
- 289.4 g/mol
Names & identifiers
- Preferred name
- 8,8-Dimethoxy-3-(4-methoxy-benzyl)-3-aza-bicyclo[3.2.1]oct-6-ene
- IUPAC
- 8,8-dimethoxy-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]oct-6-ene
Names & synonyms
SCHEMBL5416939MNGDJSILMFSJOB-UHFFFAOYSA-N8,8-Dimethoxy-3-(4-methoxy-benzyl)-3-aza-bicyclo[3.2.1]oct-6-ene
Database identifiers
- PubChem CID
- 69433697
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
3 records
Compound notes
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