Basic information
- Standard SMILES
NCCCCc1ccccc1OCC(O)CO- InChIKey
NPFIBIVWXAVMRM-UHFFFAOYSA-N- Molecular formula
- C13H21NO3
- Average molar mass
- 239.31 g/mol
Names & identifiers
- Preferred name
- 4-[(2,3-Dihydroxypropyloxy)phenyl]butylamine
- IUPAC
- 3-[2-(4-aminobutyl)phenoxy]propane-1,2-diol
Names & synonyms
SCHEMBL2331246NPFIBIVWXAVMRM-UHFFFAOYSA-N587880-51-1DB-1361204-[(2,3-Dihydroxypropyloxy)phenyl]butylamine3-[2-(4-Aminobutyl)phenoxy]-1,2-propanediol
Database identifiers
- PubChem CID
- 11528836
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 190
Related reactions
9 records
Compound notes
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