Basic information
- Standard SMILES
COc1ccc(N(C)C2CCOCC2)cc1[N+](=O)[O-]- InChIKey
OLEVCQUYNHVACV-UHFFFAOYSA-N- Molecular formula
- C13H18N2O4
- Average molar mass
- 266.29 g/mol
Names & identifiers
- Preferred name
- (4-Methoxy-3-nitro-phenyl)-methyl-(tetrahydro-pyran-4-yl)-amine
- IUPAC
- N-(4-methoxy-3-nitrophenyl)-N-methyloxan-4-amine
Names & synonyms
SCHEMBL6876218OLEVCQUYNHVACV-UHFFFAOYSA-N(4-methoxy-3-nitro-phenyl)-methyl-(tetrahydro-pyran-4-yl)-amine
Database identifiers
- PubChem CID
- 22736985
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 302
Related reactions
2 records
Compound notes
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