1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-phenethyl-, hydrochloride
Basic information
- CAS
54915-50-3- Standard SMILES
Cl.c1ccc(CCN2CC3CCC(C2)c2ccccc23)cc1- InChIKey
LZPCPSPYFXLOEE-UHFFFAOYSA-N- Molecular formula
- C20H24ClN
- Average molar mass
- 313.9 g/mol
- Monoisotopic mass
- 313.1597275
Names & identifiers
- Preferred name
- 1,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-phenethyl-, hydrochloride
- IUPAC
- 10-(2-phenylethyl)-10-azatricyclo[6.3.2.02,7]trideca-2,4,6-triene;hydrochloride
Names & synonyms
54915-50-31,5-Ethano-1H-3-benzazepine, 2,3,4,5-tetrahydro-3-phenethyl-, hydrochlorideRefChem:10534623-Phenethyl-1,5-ethano-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochlorideDTXSID009702543-(2-Phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-ethano-3-benzazepine--hydrogen chloride (1/1)
Database identifiers
- CAS
54915-50-3- PubChem CID
- 108282
- DTXSID
DTXSID00970254
Properties
Computed structural properties
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
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Compound notes
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