2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine

C12H14Cl2N4O — CID 116642379

IUPAC2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(CCOc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C12H14Cl2N4O/c13-10-2-1-3-11(14)12(10)19-7-6-18-8-9(4-5-15)16-17-18/h1-3,8H,4-7,15H2
InChIKeyZTAYVUFIUGDTNW-UHFFFAOYSA-N
MW301.18 g/mol
LogP2.17
Rot. Bonds6

About 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine

2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine (PubChem CID 116642379) has the molecular formula C12H14Cl2N4O and a molecular weight of 301.18 g/mol. Its IUPAC name is 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine
PubChem CID116642379
Molecular FormulaC12H14Cl2N4O
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine
SMILESNCCc1cn(CCOc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C12H14Cl2N4O/c13-10-2-1-3-11(14)12(10)19-7-6-18-8-9(4-5-15)16-17-18/h1-3,8H,4-7,15H2
InChIKeyZTAYVUFIUGDTNW-UHFFFAOYSA-N
XLogP2.17
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 62402131
[1-[2-(2,3-dichlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 55078167
2-[1-[2-(2-ethoxyphenoxy)ethyl]triazol-4-yl]ethanamine
CID 116642246
2-[1-[2-(2-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 55066947
2-[1-[(3-chloro-2-fluorophenyl)methyl]triazol-4-yl]ethanamine
CID 102858574
2-[1-(2-fluoroethyl)triazol-4-yl]ethanamine
CID 116642361
4-(1-bromoethyl)-1-[2-(2,6-dichlorophenoxy)ethyl]triazole
CID 81449598
4-(2-bromoethyl)-1-[2-(2-chlorophenoxy)ethyl]triazole
CID 62395128
2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]triazol-4-yl]ethanamine
CID 116641681
2-[1-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]ethanol
CID 62401507
1-[2-(2,6-dichlorophenoxy)ethyl]pyrazol-4-amine
CID 62136821
4-(2-chloroethyl)-1-[2-(3-chlorophenoxy)ethyl]triazole
CID 62401195

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine?
The IUPAC name of 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine (CID 116642379) is 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine?
The canonical SMILES for 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine is NCCc1cn(CCOc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine?
The InChIKey is ZTAYVUFIUGDTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O/c13-10-2-1-3-11(14)12(10)19-7-6-18-8-9(4-5-15)16-17-18/h1-3,8H,4-7,15H2.
What are the key properties of 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine?
2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine has a molecular weight of 301.18 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,6-dichlorophenoxy)ethyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 116642379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).