Basic information
- Standard SMILES
NCCCCc1ccc(NC[C@@H](O)CO)cc1- InChIKey
OVOGKCGDSMFYLO-CYBMUJFWSA-N- Molecular formula
- C13H22N2O2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.16812795
Names & identifiers
- Preferred name
- 4-[4-((2R)-2,3-Dihydroxypropylamino)phenyl]butylamine
- IUPAC
- (2R)-3-[4-(4-aminobutyl)anilino]propane-1,2-diol
Names & synonyms
SCHEMBL937078OVOGKCGDSMFYLO-CYBMUJFWSA-N4-[4-((2R)-2,3-Dihydroxypropylamino)phenyl]butylamine
Database identifiers
- PubChem CID
- 58664845
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 182
Related reactions
1 records
Compound notes
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