2-(4-amino-3-nitroanilino)ethanol

C8H11N3O3 — CID 5484089

IUPAC2-(4-amino-3-nitroanilino)ethanol
SMILESNc1ccc(NCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2
InChIKeyDAGCJJZWDAVKRE-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.58
Rot. Bonds4

About 2-(4-amino-3-nitroanilino)ethanol

2-(4-amino-3-nitroanilino)ethanol (PubChem CID 5484089) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-(4-amino-3-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(4-amino-3-nitroanilino)ethanol
PubChem CID5484089
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-(4-amino-3-nitroanilino)ethanol
SMILESNc1ccc(NCCO)cc1[N+](=O)[O-]
InChIInChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2
InChIKeyDAGCJJZWDAVKRE-UHFFFAOYSA-N
XLogP0.58
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-amino-3-nitroanilino)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-nitroanilino)ethanol?
The IUPAC name of 2-(4-amino-3-nitroanilino)ethanol (CID 5484089) is 2-(4-amino-3-nitroanilino)ethanol.
What is the SMILES notation for 2-(4-amino-3-nitroanilino)ethanol?
The canonical SMILES for 2-(4-amino-3-nitroanilino)ethanol is Nc1ccc(NCCO)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-amino-3-nitroanilino)ethanol?
The InChIKey is DAGCJJZWDAVKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c9-7-2-1-6(10-3-4-12)5-8(7)11(13)14/h1-2,5,10,12H,3-4,9H2.
What are the key properties of 2-(4-amino-3-nitroanilino)ethanol?
2-(4-amino-3-nitroanilino)ethanol has a molecular weight of 197.19 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-nitroanilino)ethanol is sourced from PubChem (CID 5484089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).