4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline

C14H20N4O — CID 82222387

IUPAC4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
SMILESCC(C)(C)c1cnnn1CCOc1ccc(N)cc1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-10-16-17-18(13)8-9-19-12-6-4-11(15)5-7-12/h4-7,10H,8-9,15H2,1-3H3
InChIKeyQZFWDYRWRUENFK-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.24
Rot. Bonds4

About 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline

4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline (PubChem CID 82222387) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
PubChem CID82222387
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
SMILESCC(C)(C)c1cnnn1CCOc1ccc(N)cc1
InChIInChI=1S/C14H20N4O/c1-14(2,3)13-10-16-17-18(13)8-9-19-12-6-4-11(15)5-7-12/h4-7,10H,8-9,15H2,1-3H3
InChIKeyQZFWDYRWRUENFK-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222384
4-[3-(5-propan-2-yltriazol-1-yl)propoxy]aniline
CID 82222473
4-[2-[5-(2-methoxyethyl)tetrazol-1-yl]ethoxy]aniline
CID 84759861
2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine
CID 82209257
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 82209256
4-[2-(benzotriazol-1-yl)ethoxy]aniline
CID 82097842
2-methyl-4-[2-[5-(4-methylphenyl)triazol-1-yl]ethoxy]aniline
CID 94963010
4-[2-(5-methyl-1H-imidazol-2-yl)ethoxy]aniline
CID 82471920
3-[2-(5-propan-2-yltriazol-1-yl)ethoxy]aniline
CID 82222471
4-[2-(4-tert-butylphenyl)sulfanylethoxy]aniline
CID 43366413
4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
The IUPAC name of 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline (CID 82222387) is 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
The canonical SMILES for 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline is CC(C)(C)c1cnnn1CCOc1ccc(N)cc1.
What is the InChIKey of 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
The InChIKey is QZFWDYRWRUENFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-14(2,3)13-10-16-17-18(13)8-9-19-12-6-4-11(15)5-7-12/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline?
4-[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 4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 82222387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).