Basic information
- CAS
83784-19-4- Standard SMILES
CCc1c(C)[nH]c2c1C(O)[C@@H]1CN(C)CC[C@H]1C2- InChIKey
SRQGHXLWAORIGU-QFZKOWMDSA-N- Molecular formula
- C15H24N2O
- Average molar mass
- 248.36 g/mol
- Monoisotopic mass
- 248.18886339
Names & identifiers
- Preferred name
- 3-Ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinolin-4-ol
- IUPAC
- (4aS,8aS)-3-ethyl-2,6-dimethyl-1,4,4a,5,7,8,8a,9-octahydropyrrolo[2,3-g]isoquinolin-4-ol
Names & synonyms
DTXSID4010038393-Ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinolin-4-ol(4aS,8aS)-3-Ethyl-2,6-dimethyl-4,4a,5,6,7,8,8a,9-octahydro-1H-pyrrolo[2,3-g]isoquinolin-4-ol
Database identifiers
- CAS
83784-19-4- PubChem CID
- 55147
- DTXSID
DTXSID401003839
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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