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

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Related Compounds

2-(2-chlorophenoxy)-N-methyl-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 132302693
N-[(2-chloro-3-methoxyphenyl)methyl]-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 132324522
1-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 132358726
(2S,4S,6S)-4-[4-chloro-3-(trifluoromethoxy)phenyl]-2-methyl-6-(1-methyltriazol-4-yl)piperidine
CID 172226879
4-((2-Chlorophenoxy) methyl)-1-(3,7-dimethylocta-2,6-dienyl)-1h-1,2,3-triazole
CID 129883622
1-[1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62449911
N-[[1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62449912
N-[[1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62450089
N-[[1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62450090
N-[[1-[2-(2-chloro-4-fluorophenoxy)ethyl]triazol-4-yl]methyl]cyclopropanamine
CID 62450091
[1-[2-(2-Chloro-4-fluorophenoxy)ethyl]triazol-4-yl]methanamine
CID 62450451
N-methyl-1-[1-[2-[3-(trifluoromethyl)phenoxy]ethyl]triazol-4-yl]methanamine
CID 62456683

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).