N-[2-[5-Methyl-2-(1-methylethyl)phenoxy]ethyl]-2,6-dinitro-4-(trifluoromethyl)benzenamine

Substructure search Find similar structures

Basic information

CAS: 347353-83-7
Standard SMILES: Cc1ccc(C(C)C)c(OCCNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])c1
InChIKey: DMFVWOCUIPLAEK-UHFFFAOYSA-N
Molecular formula: C19H20F3N3O5
Average molar mass: 427.4 g/mol
Monoisotopic mass: 427.13550523

Names & identifiers

Preferred name: N-[2-[5-Methyl-2-(1-methylethyl)phenoxy]ethyl]-2,6-dinitro-4-(trifluoromethyl)benzenamine
IUPAC: N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-2,6-dinitro-4-(trifluoromethyl)aniline

Names & synonyms

347353-83-7N-[2-[5-Methyl-2-(1-methylethyl)phenoxy]ethyl]-2,6-dinitro-4-(trifluoromethyl)benzenamineN-(2-(5-Methyl-2-(1-methylethyl)phenoxy)ethyl)-2,6-dinitro-4-(trifluoromethyl)benzenamineRefChem:360373N-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethyl}-2,6-dinitro-4-(trifluoromethyl)anilineDTXSID701122755STK148648AKOS000424184

Database identifiers

CAS: 347353-83-7
PubChem CID: 3558352
DTXSID: DTXSID701122755

Properties

Computed structural properties

XLogP: 6.2
Topological polar surface area: 113 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 6
Heavy atoms: 30
Formal charge: 0
Complexity: 569

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…