1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine

C14H18FN3 — CID 43825683

IUPAC1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine
SMILESCC(C)c1nccn1-c1ccc(C(C)N)cc1F
InChIInChI=1S/C14H18FN3/c1-9(2)14-17-6-7-18(14)13-5-4-11(10(3)16)8-12(13)15/h4-10H,16H2,1-3H3
InChIKeyYMQDUUQCFWDDBV-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.15
Rot. Bonds3

About 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine

1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine (PubChem CID 43825683) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine
PubChem CID43825683
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine
SMILESCC(C)c1nccn1-c1ccc(C(C)N)cc1F
InChIInChI=1S/C14H18FN3/c1-9(2)14-17-6-7-18(14)13-5-4-11(10(3)16)8-12(13)15/h4-10H,16H2,1-3H3
InChIKeyYMQDUUQCFWDDBV-UHFFFAOYSA-N
XLogP3.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine (CID 43825683) is 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine is CC(C)c1nccn1-c1ccc(C(C)N)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine?
The InChIKey is YMQDUUQCFWDDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(2)14-17-6-7-18(14)13-5-4-11(10(3)16)8-12(13)15/h4-10H,16H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine?
1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine has a molecular weight of 247.32 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43825683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).