Basic information
- Standard SMILES
CCCCCNCc1ccc(-c2ccccc2[N+](=O)[O-])cc1- InChIKey
WXXMKURFDYGTJN-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2
- Average molar mass
- 298.4 g/mol
Names & identifiers
- Preferred name
- N-[(2'-nitro-1,1'-biphenyl-4-yl)methyl]-N-pentylamine
- IUPAC
- N-[[4-(2-nitrophenyl)phenyl]methyl]pentan-1-amine
Names & synonyms
SCHEMBL3948633WXXMKURFDYGTJN-UHFFFAOYSA-NN-[(2'-nitro-1,1'-biphenyl-4-yl)methyl]-N-pentylamine
Database identifiers
- PubChem CID
- 17860716
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 322
Related reactions
2 records
Compound notes
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