Ethanone, 1-(5-bromo-2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-
Basic information
- CAS
79010-22-3- Standard SMILES
CC(=O)c1cc(Br)ccc1OCC(O)CNC(C)C- InChIKey
WXIANMDJHVKQOQ-UHFFFAOYSA-N- Molecular formula
- C14H20BrNO3
- Average molar mass
- 330.22 g/mol
- Monoisotopic mass
- 329.06266
Names & identifiers
- Preferred name
- Ethanone, 1-(5-bromo-2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-
- IUPAC
- 1-[5-bromo-2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Names & synonyms
BRN 44608421-(5-Bromo-2-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)ethanone79010-22-3ETHANONE, 1-(5-BROMO-2-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)PHENYL)-RefChem:341251DTXSID1010001931-(5-Bromo-2-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)ethan-1-one
Database identifiers
- CAS
79010-22-3- PubChem CID
- 54335
- DTXSID
DTXSID101000193
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 286
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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