Basic information
- CAS
38339-22-9- Standard SMILES
CC(C)(C)CNCC(O)c1cc(Cl)c(N)c(Cl)c1- InChIKey
BQAHCFXTJMGEQB-UHFFFAOYSA-N- Molecular formula
- C13H20Cl2N2O
- Average molar mass
- 291.21 g/mol
- Monoisotopic mass
- 290.0952687
Names & identifiers
- Preferred name
- Benzenemethanol, 4-amino-3,5-dichloro-alpha-(((2,2-dimethylpropyl)amino)methyl)-
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-(2,2-dimethylpropylamino)ethanol
Names & synonyms
BRN 284984638339-22-94-Amino-3,5-dichloro-alpha-(((2,2-dimethylpropyl)amino)methyl)benzenemethanolBenzenemethanol, 4-amino-3,5-dichloro-alpha-(((2,2-dimethylpropyl)amino)methyl)-RefChem:324955DTXSID909592751-(4-Amino-3,5-dichlorophenyl)-2-[(2,2-dimethylpropyl)amino]ethan-1-ol
Database identifiers
- CAS
38339-22-9- PubChem CID
- 217255
- DTXSID
DTXSID90959275
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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