1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

C20H24N4O — CID 167952662

IUPAC1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
SMILESCOc1ccccc1-c1ccc(C(C)N(C)CCn2cncn2)cc1
InChIInChI=1S/C20H24N4O/c1-16(23(2)12-13-24-15-21-14-22-24)17-8-10-18(11-9-17)19-6-4-5-7-20(19)25-3/h4-11,14-16H,12-13H2,1-3H3
InChIKeyGBLYPEYCDIORGZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds7

About 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine (PubChem CID 167952662) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
PubChem CID167952662
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
SMILESCOc1ccccc1-c1ccc(C(C)N(C)CCn2cncn2)cc1
InChIInChI=1S/C20H24N4O/c1-16(23(2)12-13-24-15-21-14-22-24)17-8-10-18(11-9-17)19-6-4-5-7-20(19)25-3/h4-11,14-16H,12-13H2,1-3H3
InChIKeyGBLYPEYCDIORGZ-UHFFFAOYSA-N
XLogP3.65
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The IUPAC name of 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine (CID 167952662) is 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine is COc1ccccc1-c1ccc(C(C)N(C)CCn2cncn2)cc1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The InChIKey is GBLYPEYCDIORGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16(23(2)12-13-24-15-21-14-22-24)17-8-10-18(11-9-17)19-6-4-5-7-20(19)25-3/h4-11,14-16H,12-13H2,1-3H3.
What are the key properties of 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine has a molecular weight of 336.44 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)phenyl]-N-methyl-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 167952662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).