3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline

C14H20N4O — CID 82222384

IUPAC3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
SMILESCC(C)(C)c1cnnn1CCOc1cccc(N)c1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-10-16-17-18(13)7-8-19-12-6-4-5-11(15)9-12/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyJUKHEFRGLUAFHF-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.24
Rot. Bonds4

About 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline

3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline (PubChem CID 82222384) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
PubChem CID82222384
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
SMILESCC(C)(C)c1cnnn1CCOc1cccc(N)c1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-10-16-17-18(13)7-8-19-12-6-4-5-11(15)9-12/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyJUKHEFRGLUAFHF-UHFFFAOYSA-N
XLogP2.24
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(5-propan-2-yltriazol-1-yl)ethoxy]aniline
CID 82222471
3-[2-[5-(4-fluoro-3-methylphenyl)triazol-1-yl]ethoxy]aniline
CID 94963342
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
3-(3-tert-butylsulfanylpropoxy)aniline
CID 43174528
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
3-[2-(3-tert-butylazetidin-1-yl)ethoxy]aniline
CID 79677306
ethyl 5-amino-1-[2-(3-aminophenoxy)ethyl]triazole-4-carboxylate
CID 82222752
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
3-[2-[5-(furan-2-yl)tetrazol-1-yl]ethoxy]aniline
CID 84759825
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81499102

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
The IUPAC name of 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline (CID 82222384) is 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
The canonical SMILES for 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline is CC(C)(C)c1cnnn1CCOc1cccc(N)c1.
What is the InChIKey of 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
The InChIKey is JUKHEFRGLUAFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)13-10-16-17-18(13)7-8-19-12-6-4-5-11(15)9-12/h4-6,9-10H,7-8,15H2,1-3H3.
What are the key properties of 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline has a molecular weight of 260.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 82222384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).