1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine

C18H20N4O — CID 141302837

IUPAC1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
SMILESCOc1ccccc1-n1cc(NCCc2ccc(C)cc2)nn1
InChIInChI=1S/C18H20N4O/c1-14-7-9-15(10-8-14)11-12-19-18-13-22(21-20-18)16-5-3-4-6-17(16)23-2/h3-10,13,19H,11-12H2,1-2H3
InChIKeyYFIDAEWMLIZYQE-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.24
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine

1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine (PubChem CID 141302837) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
PubChem CID141302837
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine
SMILESCOc1ccccc1-n1cc(NCCc2ccc(C)cc2)nn1
InChIInChI=1S/C18H20N4O/c1-14-7-9-15(10-8-14)11-12-19-18-13-22(21-20-18)16-5-3-4-6-17(16)23-2/h3-10,13,19H,11-12H2,1-2H3
InChIKeyYFIDAEWMLIZYQE-UHFFFAOYSA-N
XLogP3.24
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine (CID 141302837) is 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine is COc1ccccc1-n1cc(NCCc2ccc(C)cc2)nn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
The InChIKey is YFIDAEWMLIZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-14-7-9-15(10-8-14)11-12-19-18-13-22(21-20-18)16-5-3-4-6-17(16)23-2/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine?
1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]triazol-4-amine is sourced from PubChem (CID 141302837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).