1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine

C15H20N4O — CID 105001978

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
SMILESCCn1ncnc1CC(NC)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N4O/c1-3-19-15(17-10-18-19)7-14(16-2)11-4-5-12-8-20-9-13(12)6-11/h4-6,10,14,16H,3,7-9H2,1-2H3
InChIKeyMEUVKJIAAIYABH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.83
Rot. Bonds5

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine (PubChem CID 105001978) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
PubChem CID105001978
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
SMILESCCn1ncnc1CC(NC)c1ccc2c(c1)COC2
InChIInChI=1S/C15H20N4O/c1-3-19-15(17-10-18-19)7-14(16-2)11-4-5-12-8-20-9-13(12)6-11/h4-6,10,14,16H,3,7-9H2,1-2H3
InChIKeyMEUVKJIAAIYABH-UHFFFAOYSA-N
XLogP1.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 105034936
2-(4-chlorophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 63019172
1-(1,3-dihydro-2-benzofuran-5-yl)-N,3-dimethylbutan-1-amine
CID 63020410
2-(2-ethyl-1,2,4-triazol-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylethanamine
CID 81144261
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 63021279
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylethanamine
CID 105019704
N-[1-(3,4-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 105002147
1-(2,4-dichlorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 105002097
[1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]hydrazine
CID 105318959
1-(2-ethoxyphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 115533904

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine (CID 105001978) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine is CCn1ncnc1CC(NC)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
The InChIKey is MEUVKJIAAIYABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-19-15(17-10-18-19)7-14(16-2)11-4-5-12-8-20-9-13(12)6-11/h4-6,10,14,16H,3,7-9H2,1-2H3.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine?
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine has a molecular weight of 272.35 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 105001978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).