Basic information
- CAS
5667-02-7- Standard SMILES
Clc1ccc(C(OCCN2CC3CCC2CC3)c2ccccc2)cc1- InChIKey
YBNWWZVLCYCARU-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.1702921
Names & identifiers
- Preferred name
- 2-Azabicyclo(2.2.2)octane, 2-(2-((p-chloro-alpha-phenylbenzyl)oxy)ethyl)-
- IUPAC
- 2-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-2-azabicyclo[2.2.2]octane
Names & synonyms
BRN 15965322-(2-((p-Chloro-alpha-phenylbenzyl)oxy)ethyl)-2-azabicyclo(2.2.2)octaneN-(2-(p-Chlorobenzhydryloxy)ethyl)isoquinuclidine5667-02-72-AZABICYCLO(2.2.2)OCTANE, 2-(2-((p-CHLORO-alpha-PHENYLBENZYL)OXY)ETHYL)-5-20-04-00343 (Beilstein Handbook Reference)RefChem:256125DTXSID609721132-{2-[(4-chlorophenyl)(phenyl)methoxy]ethyl}-2-azabicyclo[2.2.2]octane
Database identifiers
- CAS
5667-02-7- PubChem CID
- 21875
- DTXSID
DTXSID60972113- Nikkaji
- J84.605H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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