Basic information
- Standard SMILES
COc1ccc(CC(C)(C)NCC(O)COc2cc(Cl)cc(Cl)c2)cc1.Cl- InChIKey
XBDPQPTXDUIYEI-UHFFFAOYSA-N- Molecular formula
- C20H26Cl3NO3
- Average molar mass
- 434.8 g/mol
Names & identifiers
- Preferred name
- N-[2-hydroxy-3-(3,5-dichlorophenoxy)propyl]-1,1-dimethyl-2-(4-methoxyphenyl)ethylamine Hydrochloride
- IUPAC
- 1-(3,5-dichlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
Names & synonyms
SCHEMBL5521255XBDPQPTXDUIYEI-UHFFFAOYSA-NN-[2-hydroxy-3-(3,5-dichlorophenoxy)-propyl]-1,1-dimethyl-2-(4-methoxyphenyl)ethylamine HydrochlorideN-[2-hydroxy-3-(3,5-dichlorophenoxy)propyl]-1,1-dimethyl-2-(4-methoxyphenyl)ethylamine Hydrochloride
Database identifiers
- PubChem CID
- 22640909
Properties
Computed structural properties
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 393
Related reactions
2 records
Compound notes
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