Basic information
- Standard SMILES
Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(CC(C)O)cc2)n1- InChIKey
PLEMFGUYDLVSHW-UHFFFAOYSA-N- Molecular formula
- C16H19N3O3
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.14264148
Names & identifiers
- Preferred name
- 1-{4-[(4,6-Dimethyl-3-nitro-2-pyridinyl)amino]phenyl}-2-propanol
- IUPAC
- 1-[4-[(4,6-dimethyl-3-nitro-2-pyridinyl)amino]phenyl]propan-2-ol
Names & synonyms
SCHEMBL1624653PLEMFGUYDLVSHW-UHFFFAOYSA-NDB-3728231-(4-((4,6-dimethyl-3-nitropyridin-2-yl)amino)phenyl)propan-2-ol1-{4-[(4,6-Dimethyl-3-nitro-2-pyridinyl)amino]phenyl}-2-propanol415907-65-2
Database identifiers
- PubChem CID
- 21875792
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 91 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Related reactions
11 records
Compound notes
Loading…