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

C11H12FN3 — CID 104781192

IUPAC3-(1-ethylimidazol-2-yl)-4-fluoroaniline
SMILESCCn1ccnc1-c1cc(N)ccc1F
InChIInChI=1S/C11H12FN3/c1-2-15-6-5-14-11(15)9-7-8(13)3-4-10(9)12/h3-7H,2,13H2,1H3
InChIKeyVXXZISTYXMTMDO-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.29
Rot. Bonds2

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

3-(1-ethylimidazol-2-yl)-4-fluoroaniline (PubChem CID 104781192) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-4-fluoroaniline.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-4-fluoroaniline
PubChem CID104781192
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-(1-ethylimidazol-2-yl)-4-fluoroaniline
SMILESCCn1ccnc1-c1cc(N)ccc1F
InChIInChI=1S/C11H12FN3/c1-2-15-6-5-14-11(15)9-7-8(13)3-4-10(9)12/h3-7H,2,13H2,1H3
InChIKeyVXXZISTYXMTMDO-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-methylaniline
CID 63974560
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
3-(4-ethyl-1,2,4-triazol-3-yl)-4-fluoroaniline
CID 62694280
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
5-(1-ethylimidazol-2-yl)-6-methylpyridin-2-amine
CID 79048986
4-fluoro-3-(4-methyl-2-pyridinyl)aniline
CID 22473541
1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
4-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)aniline
CID 62696052
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
4-fluoro-3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]aniline
CID 62711248
4-[[2-(2,5-dichlorophenyl)imidazol-1-yl]methyl]aniline
CID 82559604
3-fluoro-4-[(1-propylimidazol-2-yl)methyl]aniline
CID 79737831

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-4-fluoroaniline?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-4-fluoroaniline (CID 104781192) is 3-(1-ethylimidazol-2-yl)-4-fluoroaniline.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-4-fluoroaniline?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-4-fluoroaniline is CCn1ccnc1-c1cc(N)ccc1F.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-4-fluoroaniline?
The InChIKey is VXXZISTYXMTMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-15-6-5-14-11(15)9-7-8(13)3-4-10(9)12/h3-7H,2,13H2,1H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-4-fluoroaniline?
3-(1-ethylimidazol-2-yl)-4-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 3-(1-ethylimidazol-2-yl)-4-fluoroaniline is sourced from PubChem (CID 104781192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).