2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine

C11H12FN3 — CID 115023969

IUPAC2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine
SMILESNCC(F)c1nccn1-c1ccccc1
InChIInChI=1S/C11H12FN3/c12-10(8-13)11-14-6-7-15(11)9-4-2-1-3-5-9/h1-7,10H,8,13H2
InChIKeyWWDSLFAHGNNXJD-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.84
Rot. Bonds3

About 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine

2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine (PubChem CID 115023969) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine
PubChem CID115023969
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine
SMILESNCC(F)c1nccn1-c1ccccc1
InChIInChI=1S/C11H12FN3/c12-10(8-13)11-14-6-7-15(11)9-4-2-1-3-5-9/h1-7,10H,8,13H2
InChIKeyWWDSLFAHGNNXJD-UHFFFAOYSA-N
XLogP1.84
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine?
The IUPAC name of 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine (CID 115023969) is 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine is NCC(F)c1nccn1-c1ccccc1.
What is the InChIKey of 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine?
The InChIKey is WWDSLFAHGNNXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10(8-13)11-14-6-7-15(11)9-4-2-1-3-5-9/h1-7,10H,8,13H2.
What are the key properties of 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine?
2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine has a molecular weight of 205.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-phenylimidazol-2-yl)ethanamine is sourced from PubChem (CID 115023969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).