2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline

C13H12F2N2 — CID 55169588

IUPAC2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
SMILESFc1cccc(F)c1NCCc1cccnc1
InChIInChI=1S/C13H12F2N2/c14-11-4-1-5-12(15)13(11)17-8-6-10-3-2-7-16-9-10/h1-5,7,9,17H,6,8H2
InChIKeyNGAMOTZUCVLJOP-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.01
Rot. Bonds4

About 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline

2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 55169588) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
PubChem CID55169588
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
SMILESFc1cccc(F)c1NCCc1cccnc1
InChIInChI=1S/C13H12F2N2/c14-11-4-1-5-12(15)13(11)17-8-6-10-3-2-7-16-9-10/h1-5,7,9,17H,6,8H2
InChIKeyNGAMOTZUCVLJOP-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
3-(2,6-difluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023616
2,3-difluoro-6-nitro-N-(2-pyridin-3-ylethyl)aniline
CID 62533658
N-(2,6-difluorophenyl)-2-pyridin-3-ylacetamide
CID 110697216
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347
4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169012
2-fluoro-6-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104916776
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
3-fluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 115125857
1-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 60895907

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline (CID 55169588) is 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline is Fc1cccc(F)c1NCCc1cccnc1.
What is the InChIKey of 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is NGAMOTZUCVLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-11-4-1-5-12(15)13(11)17-8-6-10-3-2-7-16-9-10/h1-5,7,9,17H,6,8H2.
What are the key properties of 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline?
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 234.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 55169588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).