4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline

C15H14N4O3 — CID 82097874

IUPAC4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline
SMILESNc1ccc(OCCn2nnc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C15H14N4O3/c16-10-1-3-11(4-2-10)20-6-5-19-13-8-15-14(21-9-22-15)7-12(13)17-18-19/h1-4,7-8H,5-6,9,16H2
InChIKeyHJADLUQCYYNOCQ-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.82
Rot. Bonds4

About 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline

4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline (PubChem CID 82097874) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline
PubChem CID82097874
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline
SMILESNc1ccc(OCCn2nnc3cc4c(cc32)OCO4)cc1
InChIInChI=1S/C15H14N4O3/c16-10-1-3-11(4-2-10)20-6-5-19-13-8-15-14(21-9-22-15)7-12(13)17-18-19/h1-4,7-8H,5-6,9,16H2
InChIKeyHJADLUQCYYNOCQ-UHFFFAOYSA-N
XLogP1.82
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline 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-(benzotriazol-1-yl)ethoxy]aniline
CID 82097842
2-(6,7-dihydro-[1,4]dioxino[2,3-f]benzotriazol-3-yl)ethanamine
CID 82146460
1-(2-piperidin-2-ylethyl)-[1,3]dioxolo[4,5-f]benzotriazole
CID 82147344
3-[2-(6-ethyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)ethoxy]aniline
CID 82150376
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(benzotriazol-1-yl)acetamide
CID 23610176
3-([1,3]dioxolo[4,5-f]benzotriazol-1-ylmethyl)benzoic acid
CID 82146561
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
CID 84759861
4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222387
3-[2-(1,3-benzodioxol-5-yloxy)ethoxy]aniline
CID 39372047
4-(2-morpholin-4-ylethoxy)aniline;hydrochloride
CID 89422137
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387

Frequently Asked Questions

What is the IUPAC name of 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline?
The IUPAC name of 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline (CID 82097874) is 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline is Nc1ccc(OCCn2nnc3cc4c(cc32)OCO4)cc1.
What is the InChIKey of 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline?
The InChIKey is HJADLUQCYYNOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c16-10-1-3-11(4-2-10)20-6-5-19-13-8-15-14(21-9-22-15)7-12(13)17-18-19/h1-4,7-8H,5-6,9,16H2.
What are the key properties of 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline?
4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline has a molecular weight of 298.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 82097874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).