2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol

C20H24N4O — CID 109380340

IUPAC2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
SMILESCCc1ccc(C(CO)NCc2ccc(-n3cncn3)c(C)c2)cc1
InChIInChI=1S/C20H24N4O/c1-3-16-4-7-18(8-5-16)19(12-25)22-11-17-6-9-20(15(2)10-17)24-14-21-13-23-24/h4-10,13-14,19,22,25H,3,11-12H2,1-2H3
InChIKeyQGHIKECQXJBYSU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.96
Rot. Bonds7

About 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol

2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol (PubChem CID 109380340) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
PubChem CID109380340
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol
SMILESCCc1ccc(C(CO)NCc2ccc(-n3cncn3)c(C)c2)cc1
InChIInChI=1S/C20H24N4O/c1-3-16-4-7-18(8-5-16)19(12-25)22-11-17-6-9-20(15(2)10-17)24-14-21-13-23-24/h4-10,13-14,19,22,25H,3,11-12H2,1-2H3
InChIKeyQGHIKECQXJBYSU-UHFFFAOYSA-N
XLogP2.96
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
The IUPAC name of 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol (CID 109380340) is 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
The canonical SMILES for 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol is CCc1ccc(C(CO)NCc2ccc(-n3cncn3)c(C)c2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
The InChIKey is QGHIKECQXJBYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-3-16-4-7-18(8-5-16)19(12-25)22-11-17-6-9-20(15(2)10-17)24-14-21-13-23-24/h4-10,13-14,19,22,25H,3,11-12H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol?
2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol has a molecular weight of 336.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methylamino]ethanol is sourced from PubChem (CID 109380340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).