1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

C14H20N4O — CID 106282283

IUPAC1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H20N4O/c1-9-5-6-12(13(7-9)19-4)10(2)17-11(3)14-15-8-16-18-14/h5-8,10-11,17H,1-4H3,(H,15,16,18)
InChIKeyIFYSOLMAXDVFDB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.53
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine

1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (PubChem CID 106282283) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
PubChem CID106282283
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
SMILESCOc1cc(C)ccc1C(C)NC(C)c1ncn[nH]1
InChIInChI=1S/C14H20N4O/c1-9-5-6-12(13(7-9)19-4)10(2)17-11(3)14-15-8-16-18-14/h5-8,10-11,17H,1-4H3,(H,15,16,18)
InChIKeyIFYSOLMAXDVFDB-UHFFFAOYSA-N
XLogP2.53
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167967
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
1-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]propan-2-amine
CID 43758410
N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-methylsulfanylpropan-2-amine
CID 113261809
N-[1-(2-methoxy-4-methylphenyl)ethyl]hex-1-yn-3-amine
CID 106227116
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904386
1-(2-methoxy-4-methylphenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 43770306
(1S)-N-[1-(2-methoxy-4-methylphenyl)ethyl]-1-pyridin-3-ylethanamine
CID 81344839
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65362967
4-fluoro-2-[1-[1-(1H-1,2,4-triazol-5-yl)ethylamino]ethyl]phenol
CID 106282053

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine (CID 106282283) is 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is COc1cc(C)ccc1C(C)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
The InChIKey is IFYSOLMAXDVFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-5-6-12(13(7-9)19-4)10(2)17-11(3)14-15-8-16-18-14/h5-8,10-11,17H,1-4H3,(H,15,16,18).
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine?
1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine has a molecular weight of 260.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106282283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).