2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline

C16H24N4O — CID 102847241

IUPAC2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline
SMILESCOCCc1ccccc1NCc1ncnn1CC(C)C
InChIInChI=1S/C16H24N4O/c1-13(2)11-20-16(18-12-19-20)10-17-15-7-5-4-6-14(15)8-9-21-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyXDBMWNHMFNUOLO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds8

About 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline

2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline (PubChem CID 102847241) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline
PubChem CID102847241
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline
SMILESCOCCc1ccccc1NCc1ncnn1CC(C)C
InChIInChI=1S/C16H24N4O/c1-13(2)11-20-16(18-12-19-20)10-17-15-7-5-4-6-14(15)8-9-21-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyXDBMWNHMFNUOLO-UHFFFAOYSA-N
XLogP2.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline?
The IUPAC name of 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline (CID 102847241) is 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline.
What is the SMILES notation for 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline?
The canonical SMILES for 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline is COCCc1ccccc1NCc1ncnn1CC(C)C.
What is the InChIKey of 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline?
The InChIKey is XDBMWNHMFNUOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13(2)11-20-16(18-12-19-20)10-17-15-7-5-4-6-14(15)8-9-21-3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline?
2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]aniline is sourced from PubChem (CID 102847241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).