2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine

C14H19N3 — CID 117000119

IUPAC2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine
SMILESCc1cccc(-c2c(CCN)ncn2C)c1C
InChIInChI=1S/C14H19N3/c1-10-5-4-6-12(11(10)2)14-13(7-8-15)16-9-17(14)3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyDZVKGVXLHQVDJY-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.21
Rot. Bonds3

About 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine

2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine (PubChem CID 117000119) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine
PubChem CID117000119
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine
SMILESCc1cccc(-c2c(CCN)ncn2C)c1C
InChIInChI=1S/C14H19N3/c1-10-5-4-6-12(11(10)2)14-13(7-8-15)16-9-17(14)3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyDZVKGVXLHQVDJY-UHFFFAOYSA-N
XLogP2.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,5-dimethylimidazol-4-yl)ethanamine
CID 573597
5-(2,3-dimethylphenyl)-3-methylimidazol-4-amine
CID 62017531
2-(5-methylimidazo[1,5-a]pyridin-1-yl)ethanamine
CID 83827517
[5-(2,3-dimethylphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 112593888
2-[2-(2,3-dimethylphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866338
2-[1-methyl-2-(2-methylphenyl)imidazol-4-yl]ethanamine
CID 82284699
2-(2,3-dimethylphenyl)-1-methylpyrrole
CID 173078137
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733
2-[1-(2,3-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 82085259
2-[6-(2,3-dimethylphenyl)-[1,3]oxazolo[4,5-b]pyridin-2-yl]ethanamine
CID 117000835
5-(2,3-dimethylphenyl)-3-methyl-2-propylimidazol-4-amine
CID 62220287
2-(1-benzyl-5-methylimidazol-4-yl)ethanamine
CID 14375242

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine (CID 117000119) is 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine is Cc1cccc(-c2c(CCN)ncn2C)c1C.
What is the InChIKey of 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine?
The InChIKey is DZVKGVXLHQVDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-5-4-6-12(11(10)2)14-13(7-8-15)16-9-17(14)3/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine?
2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dimethylphenyl)-1-methylimidazol-4-yl]ethanamine is sourced from PubChem (CID 117000119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).