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

C15H22N4O — CID 80681238

IUPAC1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)NCCc1ncn(C)n1
InChIInChI=1S/C15H22N4O/c1-11-5-6-13(14(9-11)20-4)12(2)16-8-7-15-17-10-19(3)18-15/h5-6,9-10,12,16H,7-8H2,1-4H3
InChIKeyCBKSNJKMILSFNJ-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.03
Rot. Bonds6

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

1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (PubChem CID 80681238) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
PubChem CID80681238
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)NCCc1ncn(C)n1
InChIInChI=1S/C15H22N4O/c1-11-5-6-13(14(9-11)20-4)12(2)16-8-7-15-17-10-19(3)18-15/h5-6,9-10,12,16H,7-8H2,1-4H3
InChIKeyCBKSNJKMILSFNJ-UHFFFAOYSA-N
XLogP2.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-4-methylphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 113261692
3-fluoro-4-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]ethyl]phenol
CID 107715270
3-imidazol-1-yl-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-1-amine
CID 43773831
1-(2,5-difluoro-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 80681764
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 80681550
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
2,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]heptan-4-amine
CID 80681632
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 103777622
[4-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]phenyl]methanol
CID 107230187
N-[1-(2-methoxy-4-methylphenyl)ethyl]-2-methylsulfinylpropan-1-amine
CID 115896280
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine (CID 80681238) is 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is COc1cc(C)ccc1C(C)NCCc1ncn(C)n1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
The InChIKey is CBKSNJKMILSFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11-5-6-13(14(9-11)20-4)12(2)16-8-7-15-17-10-19(3)18-15/h5-6,9-10,12,16H,7-8H2,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine?
1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 80681238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).