N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine

C14H19ClN4O — CID 62486782

IUPACN-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCOc2cc(C)ccc2Cl)nn1
InChIInChI=1S/C14H19ClN4O/c1-3-16-9-12-10-19(18-17-12)6-7-20-14-8-11(2)4-5-13(14)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyCAKWGOLUKPAQQW-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.43
Rot. Bonds7

About N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine

N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine (PubChem CID 62486782) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
PubChem CID62486782
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn(CCOc2cc(C)ccc2Cl)nn1
InChIInChI=1S/C14H19ClN4O/c1-3-16-9-12-10-19(18-17-12)6-7-20-14-8-11(2)4-5-13(14)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyCAKWGOLUKPAQQW-UHFFFAOYSA-N
XLogP2.43
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]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 N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine (CID 62486782) is N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine is CCNCc1cn(CCOc2cc(C)ccc2Cl)nn1.
What is the InChIKey of N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
The InChIKey is CAKWGOLUKPAQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-3-16-9-12-10-19(18-17-12)6-7-20-14-8-11(2)4-5-13(14)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine?
N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine has a molecular weight of 294.79 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-chloro-5-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 62486782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).