Basic information
- Standard SMILES
CCN1CC[C@]2(c3cccc(OC)c3)CC(=O)CC[C@H]2C1- InChIKey
YKLOUKZAIKUCQL-MAUKXSAKSA-N- Molecular formula
- C18H25NO2
- Average molar mass
- 287.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-trans-1,2,3,4,4a,5,6,7,8,8a-Decahydro-2-ethyl-4a-(3-methoxyphenyl)-6-isoquinolinone
- IUPAC
- (4aS,8aR)-2-ethyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one
Names & synonyms
YKLOUKZAIKUCQL-MAUKXSAKSA-N(+/-)-trans-1,2,3,4,4a,5,6,7,8,8a-decahydro-2-ethyl-4a-(3-methoxyphenyl)-6-isoquinolinone(+/-)-trans-2-ethyl-4a-(3-methoxyphenyl)-6-oxo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
Database identifiers
- PubChem CID
- 10517409
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Related reactions
4 records
Linked notes
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