Basic information
- Standard SMILES
CCN(CC)CCCOc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1- InChIKey
VCQYNQHVWHBHBI-UHFFFAOYSA-N- Molecular formula
- C20H27N3O3
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- 2-(Benzylamino)-4-(3-diethylamino-1-propoxy)nitrobenzene
- IUPAC
- N-benzyl-5-[3-(diethylamino)propoxy]-2-nitroaniline
Names & synonyms
SCHEMBL4978956VCQYNQHVWHBHBI-UHFFFAOYSA-N2-(benzylamino)-4-(3-diethylamino-1-propoxy)nitrobenzene
Database identifiers
- PubChem CID
- 22014715
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 392
Related reactions
2 records
Compound notes
Loading…