Basic information
- Standard SMILES
Clc1ccc(CCN2CC3CCC(C2)O3)cc1- InChIKey
SECSXSVEYVRPGE-UHFFFAOYSA-N- Molecular formula
- C14H18ClNO
- Average molar mass
- 251.75 g/mol
Names & identifiers
- Preferred name
- 3-(p-Chlorophenethyl)-8-oxa-3-azabicyclo(3.2.1)octane
- IUPAC
- 3-[2-(4-chlorophenyl)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
Names & synonyms
SCHEMBL11826985SECSXSVEYVRPGE-UHFFFAOYSA-N3-(p-chlorophenethyl)-8-oxa-3-azabicyclo(3.2.1)octane
Database identifiers
- PubChem CID
- 21544555
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
Related reactions
2 records
Compound notes
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