3-(1-ethylimidazol-2-yl)-4-methylaniline

C12H15N3 — CID 63974560

IUPAC3-(1-ethylimidazol-2-yl)-4-methylaniline
SMILESCCn1ccnc1-c1cc(N)ccc1C
InChIInChI=1S/C12H15N3/c1-3-15-7-6-14-12(15)11-8-10(13)5-4-9(11)2/h4-8H,3,13H2,1-2H3
InChIKeyMEGFPOSUFKPMLP-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.46
Rot. Bonds2

About 3-(1-ethylimidazol-2-yl)-4-methylaniline

3-(1-ethylimidazol-2-yl)-4-methylaniline (PubChem CID 63974560) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-4-methylaniline
PubChem CID63974560
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-(1-ethylimidazol-2-yl)-4-methylaniline
SMILESCCn1ccnc1-c1cc(N)ccc1C
InChIInChI=1S/C12H15N3/c1-3-15-7-6-14-12(15)11-8-10(13)5-4-9(11)2/h4-8H,3,13H2,1-2H3
InChIKeyMEGFPOSUFKPMLP-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethylimidazol-2-yl)-4-fluoroaniline
CID 104781192
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
5-(1-ethylimidazol-2-yl)-6-methylpyridin-2-amine
CID 79048986
3-(2-ethyl-1,2,4-triazol-3-yl)-4-methylaniline
CID 63653002
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
2-(1-ethylimidazol-2-yl)pyrimidin-4-amine
CID 116795267
4-methyl-3-(1,3-thiazol-2-yl)aniline
CID 57151166
3-chloro-4-[(1-ethylimidazol-2-yl)methyl]aniline
CID 107615879
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
1-ethyl-3-(1-ethylimidazol-2-yl)indole
CID 110540406

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-4-methylaniline?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-4-methylaniline (CID 63974560) is 3-(1-ethylimidazol-2-yl)-4-methylaniline.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-4-methylaniline?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-4-methylaniline is CCn1ccnc1-c1cc(N)ccc1C.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-4-methylaniline?
The InChIKey is MEGFPOSUFKPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-3-15-7-6-14-12(15)11-8-10(13)5-4-9(11)2/h4-8H,3,13H2,1-2H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-4-methylaniline?
3-(1-ethylimidazol-2-yl)-4-methylaniline has a molecular weight of 201.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-4-methylaniline is sourced from PubChem (CID 63974560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).