Basic information
- CAS
57529-90-5- Standard SMILES
CN(C)CCc1c(-c2ccccc2)c2cccc3c2n1-c1ccccc1CC3- InChIKey
XSJGUSVLDONBPZ-UHFFFAOYSA-N- Molecular formula
- C26H26N2
- Average molar mass
- 366.5 g/mol
- Monoisotopic mass
- 366.20959884
Names & identifiers
- Preferred name
- Indolo(1,7-ab)(1)benzazepine-1-ethanamine, 6,7-dihydro-N,N-dimethyl-2-phenyl-
- IUPAC
- N,N-dimethyl-2-(15-phenyl-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine
Names & synonyms
BRN 0448298INDOLO(1,7-ab)(1)BENZAZEPINE-1-ETHANAMINE, 6,7-DIHYDRO-N,N-DIMETHYL-2-PHENYL-57529-90-5DTXSID402061456,7-Dihydro-N,N-dimethyl-2-phenyl-indolo(1,7-ab)(1)benzazepine-1-ethanamineRefChem:349401DTXCID40128636CHEMBL3273561N,N-Dimethyl-2-(2-phenyl-6,7-dihydroindolo[1,7-ab][1]benzazepin-1-yl)ethan-1-amine
Database identifiers
- CAS
57529-90-5- PubChem CID
- 42406
- DTXSID
DTXSID40206145- ChEMBL
CHEMBL3273561
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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