1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride

C11H13ClFN3 — CID 134263758

IUPAC1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride
SMILESCC(N)c1cn(-c2ccc(F)cc2)cn1.Cl
InChIInChI=1S/C11H12FN3.ClH/c1-8(13)11-6-15(7-14-11)10-4-2-9(12)3-5-10;/h2-8H,13H2,1H3;1H
InChIKeyIMUFFDRJNCOTIQ-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.45
Rot. Bonds2

About 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride

1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride (PubChem CID 134263758) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride
PubChem CID134263758
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC Name1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride
SMILESCC(N)c1cn(-c2ccc(F)cc2)cn1.Cl
InChIInChI=1S/C11H12FN3.ClH/c1-8(13)11-6-15(7-14-11)10-4-2-9(12)3-5-10;/h2-8H,13H2,1H3;1H
InChIKeyIMUFFDRJNCOTIQ-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride (CID 134263758) is 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride is CC(N)c1cn(-c2ccc(F)cc2)cn1.Cl.
What is the InChIKey of 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride?
The InChIKey is IMUFFDRJNCOTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3.ClH/c1-8(13)11-6-15(7-14-11)10-4-2-9(12)3-5-10;/h2-8H,13H2,1H3;1H.
What are the key properties of 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride?
1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride has a molecular weight of 241.70 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)imidazol-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 134263758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).