2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine

C14H20N4O — CID 82484719

IUPAC2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1c(C)cc(C)cc1-c1nc(CCN)n(C)n1
InChIInChI=1S/C14H20N4O/c1-9-7-10(2)13(19-4)11(8-9)14-16-12(5-6-15)18(3)17-14/h7-8H,5-6,15H2,1-4H3
InChIKeyGDXOSVRKSIIWLD-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.61
Rot. Bonds4

About 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine

2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 82484719) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID82484719
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1c(C)cc(C)cc1-c1nc(CCN)n(C)n1
InChIInChI=1S/C14H20N4O/c1-9-7-10(2)13(19-4)11(8-9)14-16-12(5-6-15)18(3)17-14/h7-8H,5-6,15H2,1-4H3
InChIKeyGDXOSVRKSIIWLD-UHFFFAOYSA-N
XLogP1.61
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478691
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82485568
2-[5-(2-bromophenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489387
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
3-(2-fluoro-5-methylphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157017885
3-(3,5-difluoro-2-methoxyphenyl)-5-(methoxymethyl)-1-methyl-1,2,4-triazole
CID 157012483
4-(2-methoxy-3,5-dimethylphenyl)butan-1-amine
CID 82255348
[3-(2-methoxy-3,5-dimethylphenyl)pyrazin-2-yl]methanamine
CID 82478093
2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine (CID 82484719) is 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine is COc1c(C)cc(C)cc1-c1nc(CCN)n(C)n1.
What is the InChIKey of 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is GDXOSVRKSIIWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-7-10(2)13(19-4)11(8-9)14-16-12(5-6-15)18(3)17-14/h7-8H,5-6,15H2,1-4H3.
What are the key properties of 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 82484719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).