1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C14H20N4 — CID 115682383

IUPAC1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2cnnn2C)c(C)c1
InChIInChI=1S/C14H20N4/c1-10-5-6-14(11(2)7-10)12(3)15-8-13-9-16-17-18(13)4/h5-7,9,12,15H,8H2,1-4H3
InChIKeyFXKQAAJHYOYXRC-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.28
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 115682383) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID115682383
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESCc1ccc(C(C)NCc2cnnn2C)c(C)c1
InChIInChI=1S/C14H20N4/c1-10-5-6-14(11(2)7-10)12(3)15-8-13-9-16-17-18(13)4/h5-7,9,12,15H,8H2,1-4H3
InChIKeyFXKQAAJHYOYXRC-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682134
1-(2,4-dimethylphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 62755447
1-(2,4-dimethylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 60945720
1-(2,4-dimethylphenyl)-N-[(2-ethylpyrazol-3-yl)methyl]ethanamine
CID 115761847
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172
1-(2,4-dimethylphenyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 18767185
1-(2,4-dimethylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66410790
1-(2,4-dimethylphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 62350126
1-(2,4-dimethylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]ethanamine
CID 66399400
1-(2,4-dimethylphenyl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62472782
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
(1S)-N-[(3-methyltriazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 103739296

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 115682383) is 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is Cc1ccc(C(C)NCc2cnnn2C)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is FXKQAAJHYOYXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-5-6-14(11(2)7-10)12(3)15-8-13-9-16-17-18(13)4/h5-7,9,12,15H,8H2,1-4H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 244.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115682383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).