6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Basic information
- CAS
67287-58-5- Standard SMILES
COc1cc2c(c(Cl)c1OC)CCN(C)CC2c1ccccc1- InChIKey
VDCYGTBDVYWJFQ-UHFFFAOYSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1339066
Names & identifiers
- Preferred name
- 6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
- IUPAC
- 9-chloro-7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepine
Names & synonyms
6-Chloro-7,8-dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine80751-60-6NSC 379962NSC379962SCHEMBL7322313VDCYGTBDVYWJFQ-UHFFFAOYSA-NDTXSID00114076267287-58-56-Chloro-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1-phenyl-1H-3-benzazepine6-chloro-7,8-dimethoxy-3-methyl-1-phenyl-1,2,4,5-tetrahydro-3-benzazepine
Database identifiers
- CAS
67287-58-5、80751-60-6- PubChem CID
- 435970
- DTXSID
DTXSID001140762
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
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Related reactions
3 records
Compound notes
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