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

C13H18N4O — CID 96662808

IUPAC2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1ccccc1Cc1nc(CCN)n(C)n1
InChIInChI=1S/C13H18N4O/c1-17-13(7-8-14)15-12(16-17)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9,14H2,1-2H3
InChIKeyUIIHZRNFVAYKSI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds5

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

2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine (PubChem CID 96662808) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
PubChem CID96662808
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
SMILESCOc1ccccc1Cc1nc(CCN)n(C)n1
InChIInChI=1S/C13H18N4O/c1-17-13(7-8-14)15-12(16-17)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9,14H2,1-2H3
InChIKeyUIIHZRNFVAYKSI-UHFFFAOYSA-N
XLogP0.92
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2-methoxy-5-methylphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665640
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 117135053
2-[5-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334308
2-[2-methyl-5-(2-phenoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 98015664
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
[2-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117130441
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
6-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 96614912
2-[2-methyl-5-[(2,4,6-trimethylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 82483725
[2-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-yl]methanamine
CID 62743741
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine (CID 96662808) is 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine is COc1ccccc1Cc1nc(CCN)n(C)n1.
What is the InChIKey of 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is UIIHZRNFVAYKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-17-13(7-8-14)15-12(16-17)9-10-5-3-4-6-11(10)18-2/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine?
2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methoxyphenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 96662808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).