O-[2-(4-nitroanilino)ethyl]hydroxylamine

C8H11N3O3 — CID 69258723

IUPACO-[2-(4-nitroanilino)ethyl]hydroxylamine
SMILESNOCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H11N3O3/c9-14-6-5-10-7-1-3-8(4-2-7)11(12)13/h1-4,10H,5-6,9H2
InChIKeyYYMBPESHPBUNLS-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.90
Rot. Bonds5

About O-[2-(4-nitroanilino)ethyl]hydroxylamine

O-[2-(4-nitroanilino)ethyl]hydroxylamine (PubChem CID 69258723) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is O-[2-(4-nitroanilino)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-nitroanilino)ethyl]hydroxylamine
PubChem CID69258723
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameO-[2-(4-nitroanilino)ethyl]hydroxylamine
SMILESNOCCNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H11N3O3/c9-14-6-5-10-7-1-3-8(4-2-7)11(12)13/h1-4,10H,5-6,9H2
InChIKeyYYMBPESHPBUNLS-UHFFFAOYSA-N
XLogP0.90
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze O-[2-(4-nitroanilino)ethyl]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

4-[2-(4-nitroanilino)ethoxy]aniline
CID 63237676
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
2-[2-(2-aminoethoxy)ethoxy]ethanamine;N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-nitroaniline;1-fluoro-4-nitrobenzene
CID 158684702
2-(4-nitroanilino)ethyl 2-methylprop-2-enoate
CID 57224509
4-nitro-N-[2-[2-(4-nitroanilino)ethylsulfanyl]ethyl]aniline
CID 58794858
N'-(4-nitrophenyl)butane-1,4-diamine;hydrochloride
CID 11817436
N-(3-chloropropyl)-4-nitroaniline
CID 91619861
N-(3,3-dimethylbutyl)-4-nitroaniline
CID 60759785
2-amino-3-methoxy-N-[2-(4-nitroanilino)ethyl]propanamide
CID 120983952
N-[2-(2-methylphenoxy)ethyl]-4-nitroaniline
CID 60526977
(2R)-2-amino-N-[2-(4-nitroanilino)ethyl]propanamide
CID 119272520
beryllium;2-(4-nitroanilino)ethyl phosphono hydrogen phosphate;trifluoride
CID 42626559

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-nitroanilino)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-nitroanilino)ethyl]hydroxylamine (CID 69258723) is O-[2-(4-nitroanilino)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-nitroanilino)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-nitroanilino)ethyl]hydroxylamine is NOCCNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of O-[2-(4-nitroanilino)ethyl]hydroxylamine?
The InChIKey is YYMBPESHPBUNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-14-6-5-10-7-1-3-8(4-2-7)11(12)13/h1-4,10H,5-6,9H2.
What are the key properties of O-[2-(4-nitroanilino)ethyl]hydroxylamine?
O-[2-(4-nitroanilino)ethyl]hydroxylamine has a molecular weight of 197.19 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-nitroanilino)ethyl]hydroxylamine is sourced from PubChem (CID 69258723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).