2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol

C10H14ClN3O3 — CID 2829606

IUPAC2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCCNCCO
InChIInChI=1S/C10H14ClN3O3/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15/h1-2,7,12-13,15H,3-6H2
InChIKeyJJNARJRYRLCABJ-UHFFFAOYSA-N
MW259.69 g/mol
LogP1.24
Rot. Bonds7

About 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol

2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol (PubChem CID 2829606) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol.

Molecular Properties

Compound Name2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol
PubChem CID2829606
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCCNCCO
InChIInChI=1S/C10H14ClN3O3/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15/h1-2,7,12-13,15H,3-6H2
InChIKeyJJNARJRYRLCABJ-UHFFFAOYSA-N
XLogP1.24
TPSA87.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 51.24
H-Bond Donors ≤ 53
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 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol 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

HC Yellow No. 2
CID 78637
HC Yellow no. 12
CID 5182864
1-(4-Chloro-2-nitrophenyl)pyrrolidine
CID 285321
4-(5-Chloro-2-nitrophenyl)morpholine
CID 2829611
4-chloro-2-nitro-N-phenylaniline
CID 85511
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
Benzenamine, 4-chloro-N-ethyl-2-nitro-
CID 97006
5-Chloro-2-nitrodiphenylamine
CID 117635
HC Yellow no. 10
CID 3621694
2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
CID 5490271
1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
CID 9903344

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol?
The IUPAC name of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol (CID 2829606) is 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol.
What is the SMILES notation for 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol?
The canonical SMILES for 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol is O=[N+]([O-])c1cc(Cl)ccc1NCCNCCO.
What is the InChIKey of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol?
The InChIKey is JJNARJRYRLCABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c11-8-1-2-9(10(7-8)14(16)17)13-4-3-12-5-6-15/h1-2,7,12-13,15H,3-6H2.
What are the key properties of 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol?
2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol has a molecular weight of 259.69 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chloro-2-nitroanilino)ethylamino]ethanol is sourced from PubChem (CID 2829606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).