Basic information
- Standard SMILES
OCCCNCc1ccc(Cl)c(Cl)c1- InChIKey
WIKFFALWKXCIRI-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2NO
- Average molar mass
- 234.12 g/mol
Names & identifiers
- Preferred name
- 3-{[(3,4-Dichlorophenyl)methyl]amino}propan-1-ol
- IUPAC
- 3-[(3,4-dichlorophenyl)methylamino]propan-1-ol
Names & synonyms
3-{[(3,4-dichlorophenyl)methyl]amino}propan-1-ol103323-79-1CHEMBL4225371SCHEMBL7805399WIKFFALWKXCIRI-UHFFFAOYSA-N3-(3,4-dichlorobenzylamino)propanolBDBM50461957AKOS002649307EN300-58628
Database identifiers
- PubChem CID
- 418309
- ChEMBL
CHEMBL4225371
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 157
Related reactions
2 records
Compound notes
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