Basic information
- CAS
63455-63-0- Standard SMILES
CCCCN(CCO)c1ccc(Br)cc1- InChIKey
BFDMHXSHCLQQAO-UHFFFAOYSA-N- Molecular formula
- C12H18BrNO
- Average molar mass
- 272.18 g/mol
- Monoisotopic mass
- 271.05718
Names & identifiers
- Preferred name
- 2-((4-Bromophenyl)butylamino)ethanol
- IUPAC
- 2-(4-bromo-N-butylanilino)ethanol
Names & synonyms
2-((4-Bromophenyl)butylamino)ethanol63455-63-0DTXSID302128762-[(4-bromophenyl)(butyl)amino]ethan-1-ol
Database identifiers
- CAS
63455-63-0- PubChem CID
- 44530
- DTXSID
DTXSID30212876
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 158
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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