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

C13H12F2N2 — CID 61076812

IUPAC2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
SMILESFc1cccc(NCCc2ccccn2)c1F
InChIInChI=1S/C13H12F2N2/c14-11-5-3-6-12(13(11)15)17-9-7-10-4-1-2-8-16-10/h1-6,8,17H,7,9H2
InChIKeyJZKSKYGQXJOJGZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.01
Rot. Bonds4

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

2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 61076812) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
PubChem CID61076812
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline
SMILESFc1cccc(NCCc2ccccn2)c1F
InChIInChI=1S/C13H12F2N2/c14-11-5-3-6-12(13(11)15)17-9-7-10-4-1-2-8-16-10/h1-6,8,17H,7,9H2
InChIKeyJZKSKYGQXJOJGZ-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

1-N,2-N-bis(2-pyridin-2-ylethyl)benzene-1,2-diamine;copper(1+);tetrafluoroborate
CID 139182393
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
2-methylsulfanyl-N-(2-pyridin-2-ylethyl)aniline
CID 107644767
2-chloro-4-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60721568
methyl 2,3-difluoro-4-(2-pyridin-2-ylethylamino)benzoate
CID 79834307
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
2-(2-pyridin-2-ylethylamino)benzamide
CID 70453940
3,5-difluoro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 112675532
2-fluoro-5-methoxy-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 107258603
3,5-difluoro-2-nitro-N-(2-pyridin-2-ylethyl)aniline
CID 115507663
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline (CID 61076812) is 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline is Fc1cccc(NCCc2ccccn2)c1F.
What is the InChIKey of 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is JZKSKYGQXJOJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-11-5-3-6-12(13(11)15)17-9-7-10-4-1-2-8-16-10/h1-6,8,17H,7,9H2.
What are the key properties of 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline?
2,3-difluoro-N-(2-pyridin-2-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 2,3-difluoro-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 61076812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).