1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine

C14H20N4O3 — CID 62451375

IUPAC1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOc2cc(OC)cc(OC)c2)nn1
InChIInChI=1S/C14H20N4O3/c1-15-9-11-10-18(17-16-11)4-5-21-14-7-12(19-2)6-13(8-14)20-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyMKPLJAMGZIFACA-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.09
Rot. Bonds8

About 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine

1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine (PubChem CID 62451375) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
PubChem CID62451375
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
SMILESCNCc1cn(CCOc2cc(OC)cc(OC)c2)nn1
InChIInChI=1S/C14H20N4O3/c1-15-9-11-10-18(17-16-11)4-5-21-14-7-12(19-2)6-13(8-14)20-3/h6-8,10,15H,4-5,9H2,1-3H3
InChIKeyMKPLJAMGZIFACA-UHFFFAOYSA-N
XLogP1.09
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
1-[1-[2-[(5-chloro-3-pyridinyl)oxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 64599895
N-methyl-1-[1-(2-quinolin-3-yloxyethyl)triazol-4-yl]methanamine
CID 107387810
1-[1-[3-(4-fluorophenoxy)propyl]triazol-4-yl]-N-methylmethanamine
CID 66216655
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
2-methyl-N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62452374
N-[[1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 62452373
[1-[2-(2-bromo-4-methoxyphenoxy)ethyl]triazol-4-yl]methanamine
CID 104708429
4-(2-bromoethyl)-1-[2-(3,5-dimethylphenoxy)ethyl]triazole
CID 62394957
N-[[1-[2-(3-bromo-4-fluorophenoxy)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 83231400

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine (CID 62451375) is 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine is CNCc1cn(CCOc2cc(OC)cc(OC)c2)nn1.
What is the InChIKey of 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
The InChIKey is MKPLJAMGZIFACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-15-9-11-10-18(17-16-11)4-5-21-14-7-12(19-2)6-13(8-14)20-3/h6-8,10,15H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine?
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine has a molecular weight of 292.34 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62451375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).