Basic information
- Standard SMILES
COc1cc2c(cc1OC)CCN(C(=O)CCCO)CC2- InChIKey
RPFSJKBVVSJZJV-UHFFFAOYSA-N- Molecular formula
- C16H23NO4
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.16270821
Names & identifiers
- Preferred name
- 4-(7,8-Dimethoxy 1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-oxobutan-1-ol
- IUPAC
- 1-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-hydroxybutan-1-one
Names & synonyms
SCHEMBL3149402RPFSJKBVVSJZJV-UHFFFAOYSA-N4-(7,8-Dimethoxy 1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-4-oxobutan-1-ol
Database identifiers
- PubChem CID
- 68529668
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 314
Related reactions
2 records
Compound notes
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