N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine

C18H20N4 — CID 72915566

IUPACN-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine
SMILESCNCCn1cc(-c2cccc(-c3ccccc3C)c2)nn1
InChIInChI=1S/C18H20N4/c1-14-6-3-4-9-17(14)15-7-5-8-16(12-15)18-13-22(21-20-18)11-10-19-2/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyUSDZJOCNRCIWHV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.14
Rot. Bonds5

About N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine

N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine (PubChem CID 72915566) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine
PubChem CID72915566
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC NameN-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine
SMILESCNCCn1cc(-c2cccc(-c3ccccc3C)c2)nn1
InChIInChI=1S/C18H20N4/c1-14-6-3-4-9-17(14)15-7-5-8-16(12-15)18-13-22(21-20-18)11-10-19-2/h3-9,12-13,19H,10-11H2,1-2H3
InChIKeyUSDZJOCNRCIWHV-UHFFFAOYSA-N
XLogP3.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 129280904
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(2S)-2-amino-N-[3-[4-[3-[1-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]triazol-4-yl]phenyl]triazol-1-yl]propyl]-5-(diaminomethylideneamino)pentanamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine (CID 72915566) is N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine is CNCCn1cc(-c2cccc(-c3ccccc3C)c2)nn1.
What is the InChIKey of N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine?
The InChIKey is USDZJOCNRCIWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-14-6-3-4-9-17(14)15-7-5-8-16(12-15)18-13-22(21-20-18)11-10-19-2/h3-9,12-13,19H,10-11H2,1-2H3.
What are the key properties of N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine?
N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine has a molecular weight of 292.39 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-(2-methylphenyl)phenyl]triazol-1-yl]ethanamine is sourced from PubChem (CID 72915566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).