2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine

C13H18N4O2 — CID 114687245

IUPAC2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(CC(N)c2cnnn2C)cc1OC
InChIInChI=1S/C13H18N4O2/c1-17-11(8-15-16-17)10(14)6-9-4-5-12(18-2)13(7-9)19-3/h4-5,7-8,10H,6,14H2,1-3H3
InChIKeyNJHVAVVGHBNYST-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.07
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine

2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine (PubChem CID 114687245) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine
PubChem CID114687245
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine
SMILESCOc1ccc(CC(N)c2cnnn2C)cc1OC
InChIInChI=1S/C13H18N4O2/c1-17-11(8-15-16-17)10(14)6-9-4-5-12(18-2)13(7-9)19-3/h4-5,7-8,10H,6,14H2,1-3H3
InChIKeyNJHVAVVGHBNYST-UHFFFAOYSA-N
XLogP1.07
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-1-(3-methyltriazol-4-yl)propan-1-amine
CID 105043651
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanone
CID 114685647
2-(3,4-dimethoxyphenyl)-1-(4-iodophenyl)ethanamine
CID 61079391
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
2-(3-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 114687287
2-(3,4-dimethoxyphenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 62790885
4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-(3,4-dimethoxyphenyl)-1-(2-methylcyclopropyl)ethanamine
CID 61078294
1-(4-bromo-2-fluorophenyl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 61078831
4-(2-bromo-4-methylpentyl)-1,2-dimethoxybenzene
CID 55148976
2-amino-3-(3,4-dimethoxyphenyl)propanamide
CID 14132751
[1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethyl]hydrazine
CID 105203934

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine (CID 114687245) is 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine is COc1ccc(CC(N)c2cnnn2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine?
The InChIKey is NJHVAVVGHBNYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-17-11(8-15-16-17)10(14)6-9-4-5-12(18-2)13(7-9)19-3/h4-5,7-8,10H,6,14H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine?
2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine has a molecular weight of 262.31 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-(3-methyltriazol-4-yl)ethanamine is sourced from PubChem (CID 114687245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).