Basic information
- CAS
582-42-3- Standard SMILES
Br.CCCCNCC(O)c1cccc(F)c1- InChIKey
PSCSSZVPGRTKPV-UHFFFAOYSA-N- Molecular formula
- C12H19BrFNO
- Average molar mass
- 292.19 g/mol
- Monoisotopic mass
- 291.0634
Names & identifiers
- Preferred name
- 2-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)
- IUPAC
- 2-(butylamino)-1-(3-fluorophenyl)ethanol;hydrobromide
Names & synonyms
582-42-3DTXSID909737592-(Butylamino)-1-(3-fluorophenyl)ethan-1-ol--hydrogen bromide (1/1)RefChem:1061500DTXCID101401204alpha-Butylaminomethyl-3-fluorobenzyl alcohol hydrobromideBENZYL ALCOHOL, alpha-BUTYLAMINOMETHYL-3-FLUORO-, HYDROBROMIDE
Database identifiers
- CAS
582-42-3- PubChem CID
- 11403
- DTXSID
DTXSID90973759
Properties
Computed structural properties
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…