4-[2-(benzotriazol-1-yl)ethoxy]aniline

C14H14N4O — CID 82097842

IUPAC4-[2-(benzotriazol-1-yl)ethoxy]aniline
SMILESNc1ccc(OCCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H14N4O/c15-11-5-7-12(8-6-11)19-10-9-18-14-4-2-1-3-13(14)16-17-18/h1-8H,9-10,15H2
InChIKeyQEIARKSCAKSRIN-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.09
Rot. Bonds4

About 4-[2-(benzotriazol-1-yl)ethoxy]aniline

4-[2-(benzotriazol-1-yl)ethoxy]aniline (PubChem CID 82097842) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-(benzotriazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(benzotriazol-1-yl)ethoxy]aniline
PubChem CID82097842
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-[2-(benzotriazol-1-yl)ethoxy]aniline
SMILESNc1ccc(OCCn2nnc3ccccc32)cc1
InChIInChI=1S/C14H14N4O/c15-11-5-7-12(8-6-11)19-10-9-18-14-4-2-1-3-13(14)16-17-18/h1-8H,9-10,15H2
InChIKeyQEIARKSCAKSRIN-UHFFFAOYSA-N
XLogP2.09
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-([1,3]dioxolo[4,5-f]benzotriazol-1-yl)ethoxy]aniline
CID 82097874
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953
1-(phenoxymethyl)benzotriazole
CID 640750
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-[2-(2,5-dimethylphenoxy)ethyl]benzotriazole
CID 6490952
3-(benzotriazol-1-yl)propan-1-amine
CID 4220188
1-(3-chloropropyl)benzotriazole
CID 5243938
3-[2-(4-methoxyphenoxy)ethyl]-1,2,3-benzotriazin-4-one
CID 2714405
4-(benzotriazol-1-yl)butyl acetate
CID 3611762
1-[3-(2-methylphenoxy)propyl]benzotriazole
CID 3161273
1-(2-methylsulfanylethyl)benzotriazole
CID 131018915
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzotriazol-1-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(benzotriazol-1-yl)ethoxy]aniline (CID 82097842) is 4-[2-(benzotriazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(benzotriazol-1-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(benzotriazol-1-yl)ethoxy]aniline is Nc1ccc(OCCn2nnc3ccccc32)cc1.
What is the InChIKey of 4-[2-(benzotriazol-1-yl)ethoxy]aniline?
The InChIKey is QEIARKSCAKSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-11-5-7-12(8-6-11)19-10-9-18-14-4-2-1-3-13(14)16-17-18/h1-8H,9-10,15H2.
What are the key properties of 4-[2-(benzotriazol-1-yl)ethoxy]aniline?
4-[2-(benzotriazol-1-yl)ethoxy]aniline has a molecular weight of 254.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzotriazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 82097842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).