Basic information
- CAS
77280-41-2- Standard SMILES
COc1cc2c(cc1OC)C(C)N(C(=O)C(C)C)CC2- InChIKey
XPMCMVZPSVQOJI-UHFFFAOYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
- Monoisotopic mass
- 277.1677936
Names & identifiers
- Preferred name
- 1-(6,7-Dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-one
- IUPAC
- 1-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
Names & synonyms
DTXSID309985271-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-2-methylpropan-1-oneRefChem:1054533DTXCID70142551377280-41-2N-Isobutyryl-salsolidineBRN 1483042(S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methyl-2-(2-methyl-1-oxopropyl)isoquinoline(S)-6,7-Dimethoxy-1-methyl-2-(2-methyl-1-oxopropyl)-1,2,3,4-tetrahydroisoquinolineIsoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-1-methyl-2-(2-methyl-1-oxopropyl)-, (S)-AKOS027624102
Database identifiers
- CAS
77280-41-2- PubChem CID
- 53637
- DTXSID
DTXSID30998527
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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