Basic information
- Standard SMILES
COc1cc2c(cc1OC)C(CNCc1ccccc1)OCC2- InChIKey
UFPYMXOBRJTBLR-UHFFFAOYSA-N- Molecular formula
- C19H23NO3
- Average molar mass
- 313.4 g/mol
Names & identifiers
- Preferred name
- N-Benzyl-6,7-dimethoxy-1-isochromanmethylamine
- IUPAC
- N-benzyl-1-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methanamine
Names & synonyms
SCHEMBL11668280UFPYMXOBRJTBLR-UHFFFAOYSA-NN-Benzyl-6,7-dimethoxy-1isochromanmethylamineN-Benzyl-6,7-dimethoxy-1-isochromanmethylamine
Database identifiers
- PubChem CID
- 21423136
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 346
Related reactions
3 records
Compound notes
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