4-{2-[1,1-Dimethyl-2-(2,4,6-trimethylphenyl)ethylamino]-1-hydroxyethyl}-3-methylbenzene-1,2-diol
Basic information
- Standard SMILES
Cc1cc(C)c(CC(C)(C)NCC(O)c2ccc(O)c(O)c2C)c(C)c1- InChIKey
PGIRNYYQHBXLQU-UHFFFAOYSA-N- Molecular formula
- C22H31NO3
- Average molar mass
- 357.5 g/mol
Names & identifiers
- Preferred name
- 4-{2-[1,1-Dimethyl-2-(2,4,6-trimethylphenyl)ethylamino]-1-hydroxyethyl}-3-methylbenzene-1,2-diol
- IUPAC
- 4-[1-hydroxy-2-[[2-methyl-1-(2,4,6-trimethylphenyl)propan-2-yl]amino]ethyl]-3-methylbenzene-1,2-diol
Names & synonyms
SCHEMBL5894212PGIRNYYQHBXLQU-UHFFFAOYSA-N4-{2-[1,1-dimethyl-2-(2,4,6-trimethylphenyl)ethylamino]-1-hydroxyethyl}-3-methylbenzene-1,2-diol
Database identifiers
- PubChem CID
- 58740979
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 429
Related reactions
1 records
Compound notes
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