Basic information
- Standard SMILES
CCN(CC)CCCOc1ccc([N+](=O)[O-])c(F)c1- InChIKey
MUNOKJODMBWVNW-UHFFFAOYSA-N- Molecular formula
- C13H19FN2O3
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.13797063
Names & identifiers
- Preferred name
- 2-Fluoro-4-(3-diethylamino-1-propoxy)nitrobenzene
- IUPAC
- N,N-diethyl-3-(3-fluoro-4-nitrophenoxy)propan-1-amine
Names & synonyms
SCHEMBL2889768MUNOKJODMBWVNW-UHFFFAOYSA-N2fluoro-4-(3-diethylamino-1-propoxy)nitrobenzene2-fluoro-4-(3-diethylamino-1-propoxy)nitrobenzene
Database identifiers
- PubChem CID
- 22014733
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 269
Related reactions
20 records
Compound notes
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