Basic information
- CAS
923603-50-3- Standard SMILES
COc1ccc(N(Cc2ccccc2)Cc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
JXOSRCQXQKHQOW-UHFFFAOYSA-N- Molecular formula
- C21H20N2O3
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.1473925
Names & identifiers
- Preferred name
- N-Benzyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
- IUPAC
- N-benzyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline
Names & synonyms
N-Benzyl-4-methoxy-N-[(4-nitrophenyl)methyl]aniline923603-50-3CHEMBL394428DTXSID60659078
Database identifiers
- CAS
923603-50-3- PubChem CID
- 44435949
- DTXSID
DTXSID60659078- ChEMBL
CHEMBL394428- Nikkaji
- J2.414.523I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…