Basic information
- Standard SMILES
Cc1c(OCc2ccnc(N)c2)ccc([N+](=O)[O-])c1C- InChIKey
SMOPRXFYWVNLLX-UHFFFAOYSA-N- Molecular formula
- C14H15N3O3
- Average molar mass
- 273.29 g/mol
- Monoisotopic mass
- 273.11134135
Names & identifiers
- Preferred name
- 4-((2,3-Dimethyl-4-nitrophenoxy)methyl)pyridin-2-amine
- IUPAC
- 4-[(2,3-dimethyl-4-nitrophenoxy)methyl]pyridin-2-amine
Names & synonyms
SCHEMBL2551785SMOPRXFYWVNLLX-UHFFFAOYSA-N4-((2,3-Dimethyl-4-nitrophenoxy)methyl)pyridin-2-amine
Database identifiers
- PubChem CID
- 67449766
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 334
Related reactions
1 records
Compound notes
Loading…