N-(2-deuteriophenyl)hydroxylamine

C6H7NO — CID 175480874

IUPACN-(2-deuteriophenyl)hydroxylamine
SMILES[2H]c1ccccc1NO
InChIInChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H/i4D
InChIKeyCKRZKMFTZCFYGB-QYKNYGDISA-N
MW110.13 g/mol
LogP1.49
Rot. Bonds1

About N-(2-deuteriophenyl)hydroxylamine

N-(2-deuteriophenyl)hydroxylamine (PubChem CID 175480874) has the molecular formula C6H7NO and a molecular weight of 110.13 g/mol. Its IUPAC name is N-(2-deuteriophenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2-deuteriophenyl)hydroxylamine
PubChem CID175480874
Molecular FormulaC6H7NO
Molecular Weight110.13 g/mol
Exact Mass110.06
IUPAC NameN-(2-deuteriophenyl)hydroxylamine
SMILES[2H]c1ccccc1NO
InChIInChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H/i4D
InChIKeyCKRZKMFTZCFYGB-QYKNYGDISA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-deuteriophenyl)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;N-phenylhydroxylamine
CID 162151307
azane;nitrous acid;N-phenylhydroxylamine
CID 118293490
anthracene-9,10-dione;N-phenylhydroxylamine
CID 162241472
4-(2-deuteriophenyl)-N-phenylaniline
CID 171832508
4-N-(4-deuteriophenyl)-1-N-phenylbenzene-1,4-diamine
CID 130257526
4-N-[4-(4-deuterioanilino)phenyl]-1-N-phenylbenzene-1,4-diamine
CID 130257356
2-anilinoethenol
CID 154058037
azane;N-phenylaniline
CID 67074378
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
1,2-diphenylhydrazine;hydrobromide
CID 162337860
3-deuterio-2-nitro-N-phenylbenzamide
CID 175816152
(2-deuteriophenyl)-oxido-(phenylhydrazinylidene)azanium
CID 137231920

Frequently Asked Questions

What is the IUPAC name of N-(2-deuteriophenyl)hydroxylamine?
The IUPAC name of N-(2-deuteriophenyl)hydroxylamine (CID 175480874) is N-(2-deuteriophenyl)hydroxylamine.
What is the SMILES notation for N-(2-deuteriophenyl)hydroxylamine?
The canonical SMILES for N-(2-deuteriophenyl)hydroxylamine is [2H]c1ccccc1NO.
What is the InChIKey of N-(2-deuteriophenyl)hydroxylamine?
The InChIKey is CKRZKMFTZCFYGB-QYKNYGDISA-N. The full InChI is InChI=1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H/i4D.
What are the key properties of N-(2-deuteriophenyl)hydroxylamine?
N-(2-deuteriophenyl)hydroxylamine has a molecular weight of 110.13 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-deuteriophenyl)hydroxylamine is sourced from PubChem (CID 175480874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).