[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine

C14H20N4O2 — CID 82209124

IUPAC[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1CCOc1cccc(C)c1
InChIInChI=1S/C14H20N4O2/c1-11-4-3-5-12(8-11)20-7-6-18-14(10-19-2)13(9-15)16-17-18/h3-5,8H,6-7,9-10,15H2,1-2H3
InChIKeyWZQLHUCGINHTNJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.27
Rot. Bonds7

About [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine

[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine (PubChem CID 82209124) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
PubChem CID82209124
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine
SMILESCOCc1c(CN)nnn1CCOc1cccc(C)c1
InChIInChI=1S/C14H20N4O2/c1-11-4-3-5-12(8-11)20-7-6-18-14(10-19-2)13(9-15)16-17-18/h3-5,8H,6-7,9-10,15H2,1-2H3
InChIKeyWZQLHUCGINHTNJ-UHFFFAOYSA-N
XLogP1.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-(3-methylphenoxy)ethyl]-5-propyltriazol-4-yl]methanamine
CID 82209115
[5-ethyl-1-[3-(3-methylphenoxy)propyl]triazol-4-yl]methanamine
CID 82209561
1-[2-(3-methylphenoxy)ethyl]-5-propyltriazole-4-carbaldehyde
CID 82209076
[1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazol-4-yl]methanol
CID 94944919
[5-cyclobutyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 82209110
[5-cyclohexyl-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanol
CID 94944899
1-[4-(3-methylphenoxy)butyl]-5-(2-methylpropyl)triazole-4-carbaldehyde
CID 94945284
ethyl 1-[2-(3-methylphenoxy)ethyl]tetrazole-5-carboxylate
CID 79317699
1-[2-(3-methylphenoxy)ethyl]-5-pyridin-4-yltriazole-4-carbaldehyde
CID 94944920
propan-2-yl 5-amino-1-[2-(3-methylphenoxy)ethyl]triazole-4-carboxylate
CID 82209134
4-(bromomethyl)-1-[2-(3-methylphenoxy)ethyl]triazole
CID 62401618
[5-tert-butyl-1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 82209200

Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine (CID 82209124) is [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine is COCc1c(CN)nnn1CCOc1cccc(C)c1.
What is the InChIKey of [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine?
The InChIKey is WZQLHUCGINHTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-11-4-3-5-12(8-11)20-7-6-18-14(10-19-2)13(9-15)16-17-18/h3-5,8H,6-7,9-10,15H2,1-2H3.
What are the key properties of [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine?
[5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-1-[2-(3-methylphenoxy)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82209124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).