Basic information
- CAS
37683-60-6- Standard SMILES
Cc1ccc2c(c1)c1c(n2CCCN(C)C)-c2ccccc2OCC1- InChIKey
FTJLSLWJUYVQHV-UHFFFAOYSA-N- Molecular formula
- C22H26N2O
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.20451346
Names & identifiers
- Preferred name
- 12H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-
- IUPAC
- N,N-dimethyl-3-(9-methyl-6,7-dihydro-[1]benzoxepino[5,4-b]indol-12-yl)propan-1-amine
- English name
- 6,7-Dihydro-9-methyl-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-propan-1-amine
- Molecular formula
- C22H26N2O
- Molecular weight
- 334.45
Names & synonyms
37683-60-612H-(1)Benzoxepino(5,4-b)indole, 6,7-dihydro-12-(3-dimethylaminopropyl)-9-methyl-DTXSID2019112112-(3-Dimethylaminopropyl)-9-methyl-12H-6,7-dihydrobenz(2',3')oxepino(4,5-b)indole6,7-Dihydro-12-(3-dimethylaminopropyl)-9-methyl-12H-(1)benzoxepino(5,4-b)indoleRefChem:236453DTXCID30113612N,N-Dimethyl-3-(9-methyl-6,7-dihydro-12H-[1]benzoxepino[5,4-b]indol-12-yl)propan-1-amine12H-[1]Benzoxepino[5,4-b]indole-12-propanamine, 6,7-dihydro-N,N,9-trimethyl-6,7-Dihydro-9-methyl-N,N-dimethyl-12H-[1]benzoxepino[5,4-b]indole-12-propan-1-aminedimethyl-[3-(9-methyl-6,7-dihydro-benzo[2,3]oxepino[4,5-b]indol-12-yl)-propyl]-amine
Database identifiers
- CAS
37683-60-6- PubChem CID
- 37814
- DTXSID
DTXSID20191121- Nikkaji
- J67.946A
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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