Basic information
- Standard SMILES
CCN(CCO)C1=CC(=O)C(Nc2ccc(N)c(C)c2C)=CC1=O- InChIKey
LJIJFHLVNIOHMX-UHFFFAOYSA-N- Molecular formula
- C18H23N3O3
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.1739416
Names & identifiers
- Preferred name
- 2-(4-Amino-2,3-dimethylphenylamino)-5-[(2-hydroxyethyl)ethylamino][1,4]benzoquinone
- IUPAC
- 2-(4-amino-2,3-dimethylanilino)-5-[ethyl(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
SCHEMBL15020267LJIJFHLVNIOHMX-UHFFFAOYSA-N2-(4-amino-2,3-dimethylphenylamino)-5-[(2-hydroxyethyl)ethylamino][1,4]benzoquinone
Database identifiers
- PubChem CID
- 89620662
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Compound notes
Loading…