Basic information
- Standard SMILES
NCC[C@@H]1COc2cc(OCc3ccc(Cl)cc3Cl)ccc21- InChIKey
KLCMTZSZZRTSDK-LLVKDONJSA-N- Molecular formula
- C17H17Cl2NO2
- Average molar mass
- 338.2 g/mol
Names & identifiers
- Preferred name
- 2-((3S)-6-((2,4-dichlorobenzyl)oxy)-2,3-dihydro-1-benzofuran-3-yl)ethanamine
- IUPAC
- 2-[(3S)-6-[(2,4-dichlorophenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanamine
Names & synonyms
SCHEMBL15211423KLCMTZSZZRTSDK-LLVKDONJSA-N2-((3S)-6-((2,4-dichlorobenzyl)oxy)-2,3-dihydro-1-benzofuran-3-yl)ethanamine
Database identifiers
- PubChem CID
- 89767934
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Related reactions
2 records
Compound notes
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