Zinc00247688
Basic information
- CAS
65695-26-3- Standard SMILES
COc1cc2c(cc1OC)[C@H](C)N(C(C)=O)CC2- InChIKey
GGONZGHKXHEOPW-VIFPVBQESA-N- Molecular formula
- C14H19NO3
- Average molar mass
- 249.3 g/mol
- Monoisotopic mass
- 249.13649347
Names & identifiers
- Preferred name
- Zinc00247688
- IUPAC
- 1-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Names & synonyms
65695-26-3ZINC00247688DTXSID50354308RefChem:388646DTXCID80305368(S)-1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)ethanone1-[(1S)-6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Database identifiers
- CAS
65695-26-3- PubChem CID
- 768429
- DTXSID
DTXSID50354308- Nikkaji
- J910.722C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
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Related reactions
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Compound notes
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