(3aR,8aS)-7-Phenethyl-decahydro-pyrrolo[2,3-c]azepine
Basic information
- Standard SMILES
c1ccc(CCN2CCC[C@@H]3CCN[C@@H]3C2)cc1- InChIKey
HIJHWAJALGSHLA-HZPDHXFCSA-N- Molecular formula
- C16H24N2
- Average molar mass
- 244.37 g/mol
Names & identifiers
- Preferred name
- (3aR,8aS)-7-Phenethyl-decahydro-pyrrolo[2,3-c]azepine
- IUPAC
- (3aR,8aS)-7-(2-phenylethyl)-2,3,3a,4,5,6,8,8a-octahydro-1H-pyrrolo[2,3-c]azepine
Names & synonyms
SCHEMBL1357483HIJHWAJALGSHLA-HZPDHXFCSA-N(3aR,8aS)-7-Phenethyl-decahydro-pyrrolo[2,3-c]azepine
Database identifiers
- PubChem CID
- 11955366
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
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Related reactions
3 records
Compound notes
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