2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine

C14H20N4O2 — CID 116642246

IUPAC2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
SMILESCCOc1ccccc1OCCn1cc(CCN)nn1
InChIInChI=1S/C14H20N4O2/c1-2-19-13-5-3-4-6-14(13)20-10-9-18-11-12(7-8-15)16-17-18/h3-6,11H,2,7-10,15H2,1H3
InChIKeyDWMSWVJLOSAZJV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.26
Rot. Bonds8

About 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine

2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine (PubChem CID 116642246) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
PubChem CID116642246
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
SMILESCCOc1ccccc1OCCn1cc(CCN)nn1
InChIInChI=1S/C14H20N4O2/c1-2-19-13-5-3-4-6-14(13)20-10-9-18-11-12(7-8-15)16-17-18/h3-6,11H,2,7-10,15H2,1H3
InChIKeyDWMSWVJLOSAZJV-UHFFFAOYSA-N
XLogP1.26
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine (CID 116642246) is 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine is CCOc1ccccc1OCCn1cc(CCN)nn1.
What is the InChIKey of 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine?
The InChIKey is DWMSWVJLOSAZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-19-13-5-3-4-6-14(13)20-10-9-18-11-12(7-8-15)16-17-18/h3-6,11H,2,7-10,15H2,1H3.
What are the key properties of 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine?
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine has a molecular weight of 276.34 g/mol, XLogP of 1.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).