Basic information
- Standard SMILES
Br.Cc1cccc(OCC(N)CNc2ccccc2[N+](=O)[O-])c1- InChIKey
NVXQHWOBEXKJQY-UHFFFAOYSA-N- Molecular formula
- C16H20BrN3O3
- Average molar mass
- 382.25 g/mol
Names & identifiers
- Preferred name
- 3-(3-methylphenoxy)-N1-(2-nitrophenyl)-1,2-propanediamine hydrobromide
- IUPAC
- 3-(3-methylphenoxy)-1-N-(2-nitrophenyl)propane-1,2-diamine;hydrobromide
Names & synonyms
SCHEMBL3571795NVXQHWOBEXKJQY-UHFFFAOYSA-N3-(3-methylphenoxy)-N1-(2-nitrophenyl)-1,2-propanediamine hydrobromide
Database identifiers
- PubChem CID
- 68696987
Properties
Computed structural properties
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 348
Related reactions
1 records
Compound notes
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