Basic information
- CAS
75847-67-5- Standard SMILES
C[C@H](NC(C)(C)C)[C@H](O)c1ccc(Cl)c(Cl)c1- InChIKey
SLCPABTZXAOSIU-UFBFGSQYSA-N- Molecular formula
- C13H19Cl2NO
- Average molar mass
- 276.2 g/mol
- Monoisotopic mass
- 275.0843696
Overview
structure
Names & identifiers
- Preferred name
- BW 65-54
- IUPAC
- (1R,2S)-2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-ol
Names & synonyms
BW 65-5475847-67-5BW-65-54DTXSID20226745Benzenemethanol, 3,4-dichloro-alpha-(1-((1,1-dimethylethyl)amino)ethyl)-, (R*,S*)-(+-)-RefChem:122414DTXCID50149236(1R,2S)-2-(tert-butylamino)-1-(3,4-dichlorophenyl)propan-1-olDL-Erythro-alpha-(3,4-dichlorophenyl)-beta-(t-butylamino)propanolCHEMBL2111236
Database identifiers
- CAS
75847-67-5- PubChem CID
- 192049
- DTXSID
DTXSID20226745- ChEMBL
CHEMBL2111236
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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