2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

C13H18N4O — CID 65362967

IUPAC2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1ncn[nH]1
InChIInChI=1S/C13H18N4O/c1-9-4-5-12(18-3)10(6-9)7-11(14-2)13-15-8-16-17-13/h4-6,8,11,14H,7H2,1-3H3,(H,15,16,17)
InChIKeyAUHREHNXSUJZJY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine

2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65362967) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65362967
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCNC(Cc1cc(C)ccc1OC)c1ncn[nH]1
InChIInChI=1S/C13H18N4O/c1-9-4-5-12(18-3)10(6-9)7-11(14-2)13-15-8-16-17-13/h4-6,8,11,14H,7H2,1-3H3,(H,15,16,17)
InChIKeyAUHREHNXSUJZJY-UHFFFAOYSA-N
XLogP1.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62160695
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363361
2-(2-methoxy-5-methylphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylethanamine
CID 105065334
2-(2,5-dimethylphenyl)-N-ethyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65360450
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115826658
1-(4-fluoro-2-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 81267976
1-(3-chloro-4-methylphenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826763
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 102857645
[2-(2-methoxy-5-methylphenyl)-1-pyrimidin-2-ylethyl]hydrazine
CID 105203747
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 107968056
1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106282283
1-(4-bromo-2-chlorophenyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 115826208

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65362967) is 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is CNC(Cc1cc(C)ccc1OC)c1ncn[nH]1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is AUHREHNXSUJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-9-4-5-12(18-3)10(6-9)7-11(14-2)13-15-8-16-17-13/h4-6,8,11,14H,7H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 246.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65362967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).