1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine

C12H14FN3 — CID 43188939

IUPAC1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc(F)cc1C(C)N
InChIInChI=1S/C12H14FN3/c1-8(14)11-7-10(13)3-4-12(11)16-6-5-15-9(16)2/h3-8H,14H2,1-2H3
InChIKeyMFLGNOUYOWNLOM-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.34
Rot. Bonds2

About 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine

1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine (PubChem CID 43188939) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
PubChem CID43188939
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
SMILESCc1nccn1-c1ccc(F)cc1C(C)N
InChIInChI=1S/C12H14FN3/c1-8(14)11-7-10(13)3-4-12(11)16-6-5-15-9(16)2/h3-8H,14H2,1-2H3
InChIKeyMFLGNOUYOWNLOM-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine (CID 43188939) is 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine is Cc1nccn1-c1ccc(F)cc1C(C)N.
What is the InChIKey of 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is MFLGNOUYOWNLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(14)11-7-10(13)3-4-12(11)16-6-5-15-9(16)2/h3-8H,14H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine?
1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43188939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).