6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine

C15H14F2N2 — CID 118707596

IUPAC6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1ccc(/C=C/c2c(F)cccc2F)nc1
InChIInChI=1S/C15H14F2N2/c1-19(2)12-8-6-11(18-10-12)7-9-13-14(16)4-3-5-15(13)17/h3-10H,1-2H3/b9-7+
InChIKeyAGTVYOCFBOJGSB-VQHVLOKHSA-N
MW260.29 g/mol
LogP3.60
Rot. Bonds3

About 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine

6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine (PubChem CID 118707596) has the molecular formula C15H14F2N2 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine
PubChem CID118707596
Molecular FormulaC15H14F2N2
Molecular Weight260.29 g/mol
Exact Mass260.11
IUPAC Name6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine
SMILESCN(C)c1ccc(/C=C/c2c(F)cccc2F)nc1
InChIInChI=1S/C15H14F2N2/c1-19(2)12-8-6-11(18-10-12)7-9-13-14(16)4-3-5-15(13)17/h3-10H,1-2H3/b9-7+
InChIKeyAGTVYOCFBOJGSB-VQHVLOKHSA-N
XLogP3.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine?
The IUPAC name of 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine (CID 118707596) is 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine.
What is the SMILES notation for 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine?
The canonical SMILES for 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine is CN(C)c1ccc(/C=C/c2c(F)cccc2F)nc1.
What is the InChIKey of 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine?
The InChIKey is AGTVYOCFBOJGSB-VQHVLOKHSA-N. The full InChI is InChI=1S/C15H14F2N2/c1-19(2)12-8-6-11(18-10-12)7-9-13-14(16)4-3-5-15(13)17/h3-10H,1-2H3/b9-7+.
What are the key properties of 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine?
6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine has a molecular weight of 260.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(2,6-difluorophenyl)ethenyl]-N,N-dimethylpyridin-3-amine is sourced from PubChem (CID 118707596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).