5H-Dibenz(b,f)azepine, 5-(2'-(N,N-dimethylamino)-2'-methyl)ethyl-
Basic information
- CAS
63918-76-3- Standard SMILES
CC(CN1c2ccccc2C=Cc2ccccc21)N(C)C- InChIKey
BSZNQHDGIACTOZ-UHFFFAOYSA-N- Molecular formula
- C19H22N2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.17829871
Names & identifiers
- Preferred name
- 5H-Dibenz(b,f)azepine, 5-(2'-(N,N-dimethylamino)-2'-methyl)ethyl-
- IUPAC
- 1-benzo[b][1]benzazepin-11-yl-N,N-dimethylpropan-2-amine
- English name
- 5-[2-(Dimethylamino)propyl]-5H-dibenz[b,f]azepine
- Molecular formula
- C19H22N2
- Molecular weight
- 278.39
Names & synonyms
BRN 168665363918-76-35-(2'-(N,N-Dimethylamino)-2'-methyl)ethyl-5H-dibenz(b,f)azepine5H-Dibenz(b,f)azepine, 5-(2'-(N,N-dimethylamino)-2'-methyl)ethyl-RefChem:3054371-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-2-amineDTXSID50981133DB-3064115-[2-(Dimethylamino)propyl ]-5h-dibenz[b,f]azepine5-[2-(Dimethylamino)propyl]-5H-dibenz[b,f]azepine5H-Dibenz[b,f]azepine-5-ethanamine, N,N,α-trimethyl-
Database identifiers
- CAS
63918-76-3- PubChem CID
- 115376
- DTXSID
DTXSID50981133- Nikkaji
- J72.773C
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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