Basic information
- Standard SMILES
c1ccc(CN2CCc3ccoc3CC2)cc1- InChIKey
RFQKAYVCJSNGKI-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
Names & identifiers
- Preferred name
- 6-Benzyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
- IUPAC
- 6-benzyl-4,5,7,8-tetrahydrofuro[2,3-d]azepine
Names & synonyms
SCHEMBL986160RFQKAYVCJSNGKI-UHFFFAOYSA-N6-benzyl-5,6,7,8-tetrahydro-4H-furo[3,2-d]azepine6-Benzyl-5,6,7,8-tetrahydro-4H-furo[2,3-d]azepine
Database identifiers
- PubChem CID
- 19600185
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 16.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 237
Related reactions
8 records
Compound notes
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