2-(1-ethylimidazol-2-yl)-5-fluoroaniline

C11H12FN3 — CID 107626587

IUPAC2-(1-ethylimidazol-2-yl)-5-fluoroaniline
SMILESCCn1ccnc1-c1ccc(F)cc1N
InChIInChI=1S/C11H12FN3/c1-2-15-6-5-14-11(15)9-4-3-8(12)7-10(9)13/h3-7H,2,13H2,1H3
InChIKeyGKSDMOQAIPWZLC-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.29
Rot. Bonds2

About 2-(1-ethylimidazol-2-yl)-5-fluoroaniline

2-(1-ethylimidazol-2-yl)-5-fluoroaniline (PubChem CID 107626587) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-5-fluoroaniline
PubChem CID107626587
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-(1-ethylimidazol-2-yl)-5-fluoroaniline
SMILESCCn1ccnc1-c1ccc(F)cc1N
InChIInChI=1S/C11H12FN3/c1-2-15-6-5-14-11(15)9-4-3-8(12)7-10(9)13/h3-7H,2,13H2,1H3
InChIKeyGKSDMOQAIPWZLC-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.29
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
5-methyl-2-(1-propylimidazol-2-yl)aniline
CID 82766219
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
5-(1-ethylimidazol-2-yl)-6-methylpyridin-2-amine
CID 79048986
3-(1-ethylimidazol-2-yl)-4-methylaniline
CID 63974560
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-fluoroaniline
CID 107627143
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
CID 82560884
2-(1-ethylimidazol-2-yl)-1-(5-fluoro-2-methylphenyl)ethanamine
CID 79751964

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-5-fluoroaniline?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-5-fluoroaniline (CID 107626587) is 2-(1-ethylimidazol-2-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-5-fluoroaniline?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-5-fluoroaniline is CCn1ccnc1-c1ccc(F)cc1N.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-5-fluoroaniline?
The InChIKey is GKSDMOQAIPWZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-15-6-5-14-11(15)9-4-3-8(12)7-10(9)13/h3-7H,2,13H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-5-fluoroaniline?
2-(1-ethylimidazol-2-yl)-5-fluoroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-5-fluoroaniline is sourced from PubChem (CID 107626587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).