1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

C14H20N4O — CID 63328676

IUPAC1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCOc1cccc(C(C)NCCc2nncn2C)c1
InChIInChI=1S/C14H20N4O/c1-11(12-5-4-6-13(9-12)19-3)15-8-7-14-17-16-10-18(14)2/h4-6,9-11,15H,7-8H2,1-3H3
InChIKeyKFHUXQMFYGPASI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.72
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine

1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 63328676) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID63328676
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCOc1cccc(C(C)NCCc2nncn2C)c1
InChIInChI=1S/C14H20N4O/c1-11(12-5-4-6-13(9-12)19-3)15-8-7-14-17-16-10-18(14)2/h4-6,9-11,15H,7-8H2,1-3H3
InChIKeyKFHUXQMFYGPASI-UHFFFAOYSA-N
XLogP1.72
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61214144
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 103729437
(1R)-1-(3-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001791
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
1-(3-methoxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 81134991
N-[2-(4-fluorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43191768
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-naphthalen-1-ylethanamine
CID 63329032
(1R)-1-(3-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81373333
N-[1-(3-methoxyphenyl)ethyl]-3-phenylpropan-1-amine
CID 18357750
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657976
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 63328676) is 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is COc1cccc(C(C)NCCc2nncn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is KFHUXQMFYGPASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(12-5-4-6-13(9-12)19-3)15-8-7-14-17-16-10-18(14)2/h4-6,9-11,15H,7-8H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 63328676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).