2-fluoro-N-methyl-2-pyridin-4-ylethanamine

C8H11FN2 — CID 83853523

IUPAC2-fluoro-N-methyl-2-pyridin-4-ylethanamine
SMILESCNCC(F)c1ccncc1
InChIInChI=1S/C8H11FN2/c1-10-6-8(9)7-2-4-11-5-3-7/h2-5,8,10H,6H2,1H3
InChIKeyJXHQTXWYRFQESE-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.31
Rot. Bonds3

About 2-fluoro-N-methyl-2-pyridin-4-ylethanamine

2-fluoro-N-methyl-2-pyridin-4-ylethanamine (PubChem CID 83853523) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-pyridin-4-ylethanamine
PubChem CID83853523
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name2-fluoro-N-methyl-2-pyridin-4-ylethanamine
SMILESCNCC(F)c1ccncc1
InChIInChI=1S/C8H11FN2/c1-10-6-8(9)7-2-4-11-5-3-7/h2-5,8,10H,6H2,1H3
InChIKeyJXHQTXWYRFQESE-UHFFFAOYSA-N
XLogP1.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-pyridin-4-ylethanamine?
The IUPAC name of 2-fluoro-N-methyl-2-pyridin-4-ylethanamine (CID 83853523) is 2-fluoro-N-methyl-2-pyridin-4-ylethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-2-pyridin-4-ylethanamine?
The canonical SMILES for 2-fluoro-N-methyl-2-pyridin-4-ylethanamine is CNCC(F)c1ccncc1.
What is the InChIKey of 2-fluoro-N-methyl-2-pyridin-4-ylethanamine?
The InChIKey is JXHQTXWYRFQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-10-6-8(9)7-2-4-11-5-3-7/h2-5,8,10H,6H2,1H3.
What are the key properties of 2-fluoro-N-methyl-2-pyridin-4-ylethanamine?
2-fluoro-N-methyl-2-pyridin-4-ylethanamine has a molecular weight of 154.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-2-pyridin-4-ylethanamine is sourced from PubChem (CID 83853523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).