Basic information
- Standard SMILES
OCCN[C@@H]1CN(Cc2ccccc2)C[C@H]1O- InChIKey
CRBRFRXSEJLMOD-CHWSQXEVSA-N- Molecular formula
- C13H20N2O2
- Average molar mass
- 236.31 g/mol
- Monoisotopic mass
- 236.15247789
Names & identifiers
- Preferred name
- trans-1-Benzyl-4-hydroxy-3-(2-hydroxyethylamino)pyrrolidine
- IUPAC
- (3R,4R)-1-benzyl-4-(2-hydroxyethylamino)pyrrolidin-3-ol
Names & synonyms
SCHEMBL6215776CRBRFRXSEJLMOD-CHWSQXEVSA-Ntrans-1-Benzyl-4-hydroxy-3-(2-hydroxyethylamino)pyrrolidine
Database identifiers
- PubChem CID
- 15069972
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 55.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 219
Related reactions
4 records
Compound notes
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