1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

C13H12F2N2 — CID 83124710

IUPAC1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12F2N2/c1-13(16,9-2-4-10(14)5-3-9)12-7-6-11(15)8-17-12/h2-8H,16H2,1H3
InChIKeyOEAQFMMYSMZJDQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.58
Rot. Bonds2

About 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 83124710) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID83124710
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(N)(c1ccc(F)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H12F2N2/c1-13(16,9-2-4-10(14)5-3-9)12-7-6-11(15)8-17-12/h2-8H,16H2,1H3
InChIKeyOEAQFMMYSMZJDQ-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 83124710) is 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is CC(N)(c1ccc(F)cc1)c1ccc(F)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is OEAQFMMYSMZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c1-13(16,9-2-4-10(14)5-3-9)12-7-6-11(15)8-17-12/h2-8H,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 234.25 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).