12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-
Basic information
- CAS
37683-56-0- Standard SMILES
Cc1ccc2c(c1)c1c(n2CCN(C)C)-c2ccccc2OCC1- InChIKey
GMCMXQVOFGRICB-UHFFFAOYSA-N- Molecular formula
- C21H24N2O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.18886339
Names & identifiers
- Preferred name
- 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(2-dimethylaminoethyl)-9-methyl-
- IUPAC
- N,N-dimethyl-2-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)ethanamine
- English name
- 6,7-Dihydro-9-methyl-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-ethanamine
- Molecular formula
- C21H24N2O
- Molecular weight
- 320.43
Names & synonyms
37683-56-0BRN 056767312H-(1)BENZOXEPINO(5,4-b)INDOLE, 6,7-DIHYDRO-12-(2-DIMETHYLAMINOETHYL)-9-METHYL-6,7-Dihydro-12-(2-dimethylaminoethyl)-9-methyl-12H-(1)benzoxepino(5,4-b)indoleDTXSID5019111912-(2-Dimethylaminoethyl)-9-methyl-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indoleRefChem:236451DTXCID10113610Oprea1_445283DB-229459N,N-Dimethyl-2-(9-methyl-6,7-dihydro-12H-[1]benzoxepino[5,4-b]indol-12-yl)ethan-1-amine12H-[1]Benzoxepino[5,4-b]indole-12-ethanamine, 6,7-dihydro-N,N,9-trimethyl-
Show more names
6,7-Dihydro-9-methyl-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-ethanamine
Database identifiers
- CAS
37683-56-0- PubChem CID
- 37812
- DTXSID
DTXSID50191119- Nikkaji
- J67.944E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 426
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Compound notes
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