2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline

C14H14F2N2S — CID 63264817

IUPAC2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
SMILESFC(F)Sc1ccccc1NCCc1cccnc1
InChIInChI=1S/C14H14F2N2S/c15-14(16)19-13-6-2-1-5-12(13)18-9-7-11-4-3-8-17-10-11/h1-6,8,10,14,18H,7,9H2
InChIKeyHWTRVEFBHWVKAA-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.05
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline

2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 63264817) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
PubChem CID63264817
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
SMILESFC(F)Sc1ccccc1NCCc1cccnc1
InChIInChI=1S/C14H14F2N2S/c15-14(16)19-13-6-2-1-5-12(13)18-9-7-11-4-3-8-17-10-11/h1-6,8,10,14,18H,7,9H2
InChIKeyHWTRVEFBHWVKAA-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
CID 63265128
2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43192339
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
2-methylsulfanyl-N-(2-pyridin-4-ylethyl)aniline
CID 107644727
2-(difluoromethylsulfanyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 55034725
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-(difluoromethylsulfanyl)-N-(4,4,4-trifluorobutyl)aniline
CID 115513442
4-N-(2-pyridin-3-ylethyl)-1H-pyrazole-4,5-diamine
CID 82238157

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline (CID 63264817) is 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline is FC(F)Sc1ccccc1NCCc1cccnc1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is HWTRVEFBHWVKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c15-14(16)19-13-6-2-1-5-12(13)18-9-7-11-4-3-8-17-10-11/h1-6,8,10,14,18H,7,9H2.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline?
2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 280.34 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 63264817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).