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

C11H12FN3 — CID 19627195

IUPAC4-(2-ethylimidazol-1-yl)-3-fluoroaniline
SMILESCCc1nccn1-c1ccc(N)cc1F
InChIInChI=1S/C11H12FN3/c1-2-11-14-5-6-15(11)10-4-3-8(13)7-9(10)12/h3-7H,2,13H2,1H3
InChIKeyYYMYUROTYQICPP-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.16
Rot. Bonds2

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

4-(2-ethylimidazol-1-yl)-3-fluoroaniline (PubChem CID 19627195) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-3-fluoroaniline
PubChem CID19627195
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-(2-ethylimidazol-1-yl)-3-fluoroaniline
SMILESCCc1nccn1-c1ccc(N)cc1F
InChIInChI=1S/C11H12FN3/c1-2-11-14-5-6-15(11)10-4-3-8(13)7-9(10)12/h3-7H,2,13H2,1H3
InChIKeyYYMYUROTYQICPP-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-3-fluoroaniline?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-3-fluoroaniline (CID 19627195) is 4-(2-ethylimidazol-1-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-3-fluoroaniline?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-3-fluoroaniline is CCc1nccn1-c1ccc(N)cc1F.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-3-fluoroaniline?
The InChIKey is YYMYUROTYQICPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-11-14-5-6-15(11)10-4-3-8(13)7-9(10)12/h3-7H,2,13H2,1H3.
What are the key properties of 4-(2-ethylimidazol-1-yl)-3-fluoroaniline?
4-(2-ethylimidazol-1-yl)-3-fluoroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-3-fluoroaniline is sourced from PubChem (CID 19627195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).