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

C14H20N4O — CID 96665640

IUPAC2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1ccc(C)cc1Cc1nc(CCN)n(C)n1
InChIInChI=1S/C14H20N4O/c1-10-4-5-12(19-3)11(8-10)9-13-16-14(6-7-15)18(2)17-13/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyGGURGZGMHUUBBY-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.22
Rot. Bonds5

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

2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 96665640) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID96665640
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1ccc(C)cc1Cc1nc(CCN)n(C)n1
InChIInChI=1S/C14H20N4O/c1-10-4-5-12(19-3)11(8-10)9-13-16-14(6-7-15)18(2)17-13/h4-5,8H,6-7,9,15H2,1-3H3
InChIKeyGGURGZGMHUUBBY-UHFFFAOYSA-N
XLogP1.22
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96662808
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
2-[1-methyl-5-[2-(4-methylphenoxy)ethyl]-1,2,4-triazol-3-yl]ethanamine
CID 98017069
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
2-[2-[(5-fluoro-2-methoxyphenyl)methyl]-1-methylimidazol-4-yl]ethanamine
CID 95469453
1-(2-methoxy-5-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105118289
4-bromo-5-[2-(2-methoxy-5-methylphenyl)ethyl]-1,2-dimethylimidazole
CID 84605594
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105083651
2-[5-[(5-fluoro-2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]ethanamine
CID 96663708

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine (CID 96665640) is 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine is COc1ccc(C)cc1Cc1nc(CCN)n(C)n1.
What is the InChIKey of 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is GGURGZGMHUUBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-4-5-12(19-3)11(8-10)9-13-16-14(6-7-15)18(2)17-13/h4-5,8H,6-7,9,15H2,1-3H3.
What are the key properties of 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 96665640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).