Basic information
- CAS
25433-79-8- Standard SMILES
Cl.c1ccc(-c2oc3ccccc3c2-c2ccc(OCCN3CCCC3)cc2)cc1- InChIKey
IPJRFNGQQRYRHF-UHFFFAOYSA-N- Molecular formula
- C26H26ClNO2
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1652068
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-(p-(2-phenyl-3-benzofuranyl)phenoxy)ethyl)-, hydrochloride
- IUPAC
- 1-[2-[4-(2-phenyl-1-benzofuran-3-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
Names & synonyms
25433-79-8Pyrrolidine, 1-(2-(p-(2-phenyl-3-benzofuranyl)phenoxy)ethyl)-, hydrochlorideNSC 1277201-(2-(p-(2-Phenyl-3-benzofuranyl)phenoxy)ethyl)pyrrolidine hydrochlorideDTXSID10180089NSC127720NSC-1277201-(2-(4-(2-phenylbenzofuran-3-yl)phenoxy) ethyl)pyrrolidine, hydrochloride1-{2-[4-(2-Phenyl-1-benzofuran-3-yl)phenoxy]ethyl}pyrrolidine--hydrogen chloride (1/1)
Database identifiers
- CAS
25433-79-8- PubChem CID
- 212965
- DTXSID
DTXSID10180089
Properties
Computed structural properties
- Topological polar surface area
- 25.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 491
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…