1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

C15H22N4O2 — CID 104997835

IUPAC1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22N4O2/c1-5-16-13(9-15-17-10-18-19(15)2)12-7-6-11(20-3)8-14(12)21-4/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyQRPQYXWRTFKKBD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.73
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine

1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104997835) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104997835
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
SMILESCCNC(Cc1ncnn1C)c1ccc(OC)cc1OC
InChIInChI=1S/C15H22N4O2/c1-5-16-13(9-15-17-10-18-19(15)2)12-7-6-11(20-3)8-14(12)21-4/h6-8,10,13,16H,5,9H2,1-4H3
InChIKeyQRPQYXWRTFKKBD-UHFFFAOYSA-N
XLogP1.73
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-chloro-2-methoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 104997749
N-ethyl-1-(3-methoxythiophen-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997997
1-(2,4-dibromophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 107946144
1-(3,4-dimethylphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997849
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997834
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
1-(5-chloro-2-methoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997646
1-(2,6-dimethoxyphenyl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997696
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64615524
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(1-benzothiophen-3-yl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 104997921

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine (CID 104997835) is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is CCNC(Cc1ncnn1C)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is QRPQYXWRTFKKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-5-16-13(9-15-17-10-18-19(15)2)12-7-6-11(20-3)8-14(12)21-4/h6-8,10,13,16H,5,9H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine?
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 290.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104997835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).