Basic information
- CAS
801980-18-7- Standard SMILES
CCCNCC(O)COc1ccccc1Br- InChIKey
OEDZKXNRJMJXCG-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO2
- Average molar mass
- 288.18 g/mol
- Monoisotopic mass
- 287.05209
Names & identifiers
- Preferred name
- 1-(2-Bromophenoxy)-3-(propylamino)-2-propanol
- IUPAC
- 1-(2-bromophenoxy)-3-(propylamino)propan-2-ol
Names & synonyms
1-(2-Bromophenoxy)-3-(propylamino)-2-propanolDTXSID101254031801980-18-71-(2-bromophenoxy)-3-(propylamino)propan-2-ol
Database identifiers
- CAS
801980-18-7- PubChem CID
- 43166201
- DTXSID
DTXSID101254031
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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