Basic information
- Standard SMILES
COc1cc(OC)cc(C(C)Nc2cc(F)ccc2[N+](=O)[O-])c1- InChIKey
NRFIKWOIYNGQCD-UHFFFAOYSA-N- Molecular formula
- C16H17FN2O4
- Average molar mass
- 320.31 g/mol
- Monoisotopic mass
- 320.11723519
Names & identifiers
- Preferred name
- 5-Fluoro-N-(1-(3,5-dimethoxyphenyl)ethyl)-2-nitrobenzenamine
- IUPAC
- N-[1-(3,5-dimethoxyphenyl)ethyl]-5-fluoro-2-nitroaniline
Names & synonyms
SCHEMBL1748361NRFIKWOIYNGQCD-UHFFFAOYSA-N5-Fluoro-N-(1-(3,5-dimethoxyphenyl)ethyl)-2-nitrobenzenamine
Database identifiers
- PubChem CID
- 58707337
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 76.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 381
Related reactions
6 records
Compound notes
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