Basic information
- Standard SMILES
COC[C@H](Oc1ccc(Cl)cc1Cl)[C@H]1CCNC1- InChIKey
XIANPBHUMGFIDJ-ZANVPECISA-N- Molecular formula
- C13H17Cl2NO2
- Average molar mass
- 290.18 g/mol
- Monoisotopic mass
- 289.0636342
Names & identifiers
- Preferred name
- (S)-3-[(R)-1-(2,4-Dichlorophenoxy)-2-methoxyethyl]pyrrolidine
- IUPAC
- (3S)-3-[(1R)-1-(2,4-dichlorophenoxy)-2-methoxyethyl]pyrrolidine
Names & synonyms
SCHEMBL968825XIANPBHUMGFIDJ-ZANVPECISA-N(S)-3-[(R)-1-(2,4-Dichlorophenoxy)-2-methoxyethyl]pyrrolidine
Database identifiers
- PubChem CID
- 50899618
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 255
Related reactions
3 records
Compound notes
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