(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine

C17H19FN2 — CID 121321870

IUPAC(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine
SMILESC=C1C=CC(c2ccc(F)cc2)=N[C@H]1C/C=C(\C)NC
InChIInChI=1S/C17H19FN2/c1-12-4-10-17(14-6-8-15(18)9-7-14)20-16(12)11-5-13(2)19-3/h4-10,16,19H,1,11H2,2-3H3/b13-5+/t16-/m0/s1
InChIKeyKOXLIYQTDPEUDH-RBBXRFMQSA-N
MW270.35 g/mol
LogP3.62
Rot. Bonds4

About (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine

(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine (PubChem CID 121321870) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine
PubChem CID121321870
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine
SMILESC=C1C=CC(c2ccc(F)cc2)=N[C@H]1C/C=C(\C)NC
InChIInChI=1S/C17H19FN2/c1-12-4-10-17(14-6-8-15(18)9-7-14)20-16(12)11-5-13(2)19-3/h4-10,16,19H,1,11H2,2-3H3/b13-5+/t16-/m0/s1
InChIKeyKOXLIYQTDPEUDH-RBBXRFMQSA-N
XLogP3.62
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine?
The IUPAC name of (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine (CID 121321870) is (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine.
What is the SMILES notation for (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine?
The canonical SMILES for (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine is C=C1C=CC(c2ccc(F)cc2)=N[C@H]1C/C=C(\C)NC.
What is the InChIKey of (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine?
The InChIKey is KOXLIYQTDPEUDH-RBBXRFMQSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-4-10-17(14-6-8-15(18)9-7-14)20-16(12)11-5-13(2)19-3/h4-10,16,19H,1,11H2,2-3H3/b13-5+/t16-/m0/s1.
What are the key properties of (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine?
(E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine has a molecular weight of 270.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(2S)-6-(4-fluorophenyl)-3-methylidene-2H-pyridin-2-yl]-N-methylbut-2-en-2-amine is sourced from PubChem (CID 121321870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).