N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine

C8H10Cl2N2O — CID 88538409

IUPACN-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine
SMILESCNc1cc(Cl)c(Cl)cc1N(C)O
InChIInChI=1S/C8H10Cl2N2O/c1-11-7-3-5(9)6(10)4-8(7)12(2)13/h3-4,11,13H,1-2H3
InChIKeyZYCGKWPTIUQXHX-UHFFFAOYSA-N
MW221.09 g/mol
LogP2.86
Rot. Bonds2

About N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine

N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine (PubChem CID 88538409) has the molecular formula C8H10Cl2N2O and a molecular weight of 221.09 g/mol. Its IUPAC name is N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine.

Molecular Properties

Compound NameN-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine
PubChem CID88538409
Molecular FormulaC8H10Cl2N2O
Molecular Weight221.09 g/mol
Exact Mass220.02
IUPAC NameN-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine
SMILESCNc1cc(Cl)c(Cl)cc1N(C)O
InChIInChI=1S/C8H10Cl2N2O/c1-11-7-3-5(9)6(10)4-8(7)12(2)13/h3-4,11,13H,1-2H3
InChIKeyZYCGKWPTIUQXHX-UHFFFAOYSA-N
XLogP2.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.09
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine?
The IUPAC name of N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine (CID 88538409) is N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine.
What is the SMILES notation for N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine?
The canonical SMILES for N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine is CNc1cc(Cl)c(Cl)cc1N(C)O.
What is the InChIKey of N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine?
The InChIKey is ZYCGKWPTIUQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2O/c1-11-7-3-5(9)6(10)4-8(7)12(2)13/h3-4,11,13H,1-2H3.
What are the key properties of N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine?
N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine has a molecular weight of 221.09 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dichloro-2-(methylamino)phenyl]-N-methylhydroxylamine is sourced from PubChem (CID 88538409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).