N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

C16H24N4O — CID 79422698

IUPACN-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCOCCNCC(Cc1ncnn1C)c1cccc(C)c1
InChIInChI=1S/C16H24N4O/c1-13-5-4-6-14(9-13)15(11-17-7-8-21-3)10-16-18-12-19-20(16)2/h4-6,9,12,15,17H,7-8,10-11H2,1-3H3
InChIKeyNUFVSWHZWLAGQB-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.69
Rot. Bonds8

About N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine

N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 79422698) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID79422698
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCOCCNCC(Cc1ncnn1C)c1cccc(C)c1
InChIInChI=1S/C16H24N4O/c1-13-5-4-6-14(9-13)15(11-17-7-8-21-3)10-16-18-12-19-20(16)2/h4-6,9,12,15,17H,7-8,10-11H2,1-3H3
InChIKeyNUFVSWHZWLAGQB-UHFFFAOYSA-N
XLogP1.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (CID 79422698) is N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is COCCNCC(Cc1ncnn1C)c1cccc(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is NUFVSWHZWLAGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-5-4-6-14(9-13)15(11-17-7-8-21-3)10-16-18-12-19-20(16)2/h4-6,9,12,15,17H,7-8,10-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine?
N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-methylphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 79422698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).