Benzenemethanol, 4-amino-alpha-(((1-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)methyl)-3,5-dichloro-
Basic information
- CAS
38339-25-2- Standard SMILES
CC(C)(NCC(O)c1cc(Cl)c(N)c(Cl)c1)c1ccc2c(c1)OCO2- InChIKey
DQFQITORHSBEMX-UHFFFAOYSA-N- Molecular formula
- C18H20Cl2N2O3
- Average molar mass
- 383.3 g/mol
- Monoisotopic mass
- 382.0850979
Names & identifiers
- Preferred name
- Benzenemethanol, 4-amino-alpha-(((1-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)methyl)-3,5-dichloro-
- IUPAC
- 1-(4-amino-3,5-dichlorophenyl)-2-[2-(1,3-benzodioxol-5-yl)propan-2-ylamino]ethanol
Names & synonyms
38339-25-2Benzenemethanol, 4-amino-alpha-(((1-(1,3-benzodioxol-5-yl)-1-methylethyl)amino)methyl)-3,5-dichloro-RefChem:324960DTXSID709592781-(4-Amino-3,5-dichlorophenyl)-2-{[2-(2H-1,3-benzodioxol-5-yl)propan-2-yl]amino}ethan-1-ol
Database identifiers
- CAS
38339-25-2- PubChem CID
- 217258
- DTXSID
DTXSID70959278
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
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Compound notes
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