2,6-Dimethyl-4-[3-(methylamino)-4-nitrophenoxy]aniline

HCID 66701665

Notes Reactions

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Basic information

Standard SMILES: CNc1cc(Oc2cc(C)c(N)c(C)c2)ccc1[N+](=O)[O-]
InChIKey: MCAKWGXXBKGBEQ-UHFFFAOYSA-N
Molecular formula: C15H17N3O3
Average molar mass: 287.31 g/mol

Names & identifiers

Preferred name: 2,6-Dimethyl-4-[3-(methylamino)-4-nitrophenoxy]aniline
IUPAC: 2,6-dimethyl-4-[3-(methylamino)-4-nitrophenoxy]aniline

Names & synonyms

SCHEMBL487074MCAKWGXXBKGBEQ-UHFFFAOYSA-N2,6-dimethyl-4-[3-(methylamino)-4-nitrophenoxy]anilineN-[5-(4-Amino-3,5-dimethylphenoxy)-2-nitrophenyl]-N-methylamine

Database identifiers

PubChem CID: 66701665

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 21
Formal charge: 0
Complexity: 349

Related reactions

8 records

New reaction record

HRID 295559As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 424862As productuspto-grants-2012_01

HRID 424863As productuspto-grants-2012_01

HRID 424866As productuspto-grants-2012_01

HRID 686498As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1160835As productuspto-grants-2010_10

HRID 1160836As productuspto-grants-2010_10

HRID 1160839As productuspto-grants-2010_10

Compound notes

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