N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine

C8H11N2O2- — CID 163142986

IUPACN-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
SMILESCN(C)c1ccc(N([O-])O)cc1
InChIInChI=1S/C8H11N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6,11H,1-2H3/q-1
InChIKeyLFPFHWHNDDBYTD-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.45
Rot. Bonds2

About N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine

N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine (PubChem CID 163142986) has the molecular formula C8H11N2O2- and a molecular weight of 167.19 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
PubChem CID163142986
Molecular FormulaC8H11N2O2-
Molecular Weight167.19 g/mol
Exact Mass167.08
IUPAC NameN-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine
SMILESCN(C)c1ccc(N([O-])O)cc1
InChIInChI=1S/C8H11N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6,11H,1-2H3/q-1
InChIKeyLFPFHWHNDDBYTD-UHFFFAOYSA-N
XLogP1.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-N-oxidohydroxylamine
CID 58019943
CID 173423168
CID 173423168
4-(1-cyclopropylethenyl)-N,N-dimethylaniline
CID 168864381
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
ethenol;N,N,4-trimethylaniline
CID 161109749
4-[hydroxy(oxido)amino]benzoyl chloride
CID 21139736
[4-(dimethylamino)phenyl]-methylideneazanium
CID 163760685
1,2-bis[4-(dimethylamino)phenyl]ethene-1,2-dithiol
CID 72743774
CID 10920697
CID 10920697
N,N-dimethylaniline;methanol
CID 143205399
N,N-dimethyl-4-(1-nitroethenyl)aniline
CID 87729881
lithium 4-(dimethylamino)benzenesulfonate
CID 59248340

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine (CID 163142986) is N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine is CN(C)c1ccc(N([O-])O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine?
The InChIKey is LFPFHWHNDDBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6,11H,1-2H3/q-1.
What are the key properties of N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine?
N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine has a molecular weight of 167.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N-oxidohydroxylamine is sourced from PubChem (CID 163142986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).