2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine

C12H15ClN4O — CID 82209257

IUPAC2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine
SMILESNCCc1cnnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4O/c13-10-1-3-12(4-2-10)18-8-7-17-11(5-6-14)9-15-16-17/h1-4,9H,5-8,14H2
InChIKeyGXWXAXPENIMOGK-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.51
Rot. Bonds6

About 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine

2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine (PubChem CID 82209257) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine
PubChem CID82209257
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine
SMILESNCCc1cnnn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN4O/c13-10-1-3-12(4-2-10)18-8-7-17-11(5-6-14)9-15-16-17/h1-4,9H,5-8,14H2
InChIKeyGXWXAXPENIMOGK-UHFFFAOYSA-N
XLogP1.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 82209256
2-[3-(4-propoxyphenyl)triazol-4-yl]ethanamine
CID 112518516
4-[2-(5-tert-butyltriazol-1-yl)ethoxy]aniline
CID 82222387
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
2-[3-(3,3-difluorobutyl)triazol-4-yl]ethanamine
CID 84672158
1-[2-(4-chlorophenoxy)ethyl]-5-cyclopropyltriazol-4-amine
CID 79548359
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
[1-[2-(4-chlorophenoxy)ethyl]-5-methyltriazol-4-yl]methanol
CID 82209227
[1-[2-(4-chlorophenoxy)ethyl]-5-propyltriazol-4-yl]methanol
CID 82209233
1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
CID 142479985
2-[4-(2-indazol-1-ylethoxy)phenyl]ethanamine
CID 62139987
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine (CID 82209257) is 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine is NCCc1cnnn1CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine?
The InChIKey is GXWXAXPENIMOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c13-10-1-3-12(4-2-10)18-8-7-17-11(5-6-14)9-15-16-17/h1-4,9H,5-8,14H2.
What are the key properties of 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine?
2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine has a molecular weight of 266.73 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 82209257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).