Basic information
- Standard SMILES
c1ccc(COc2ccc3c(c2)CCN(C2CCC2)CC3)cc1- InChIKey
IFLIPLANALCYLX-UHFFFAOYSA-N- Molecular formula
- C21H25NO
- Average molar mass
- 307.4 g/mol
Names & identifiers
- Preferred name
- 7-(benzyloxy)-3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
- IUPAC
- 3-cyclobutyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
Names & synonyms
CHEMBL30926437-(benzyloxy)-3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine720689-52-17-(benzyloxy)-3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepineSCHEMBL3094803IFLIPLANALCYLX-UHFFFAOYSA-NBDBM504437827-Benzyloxy-3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine3-Cyclobutyl-7-[(phenylmethyl)oxy]-2,3,4,5-tetrahydro-1H-3-benzazepine
Database identifiers
- PubChem CID
- 10244716
- ChEMBL
CHEMBL3092643
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Related reactions
10 records
Compound notes
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