2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline

C14H14F2N2S — CID 43192339

IUPAC2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1SC(F)F)c1cccnc1
InChIInChI=1S/C14H14F2N2S/c1-10(11-5-4-8-17-9-11)18-12-6-2-3-7-13(12)19-14(15)16/h2-10,14,18H,1H3
InChIKeyKBWIAAWLGBGHJI-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.57
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline

2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline (PubChem CID 43192339) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline
PubChem CID43192339
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline
SMILESCC(Nc1ccccc1SC(F)F)c1cccnc1
InChIInChI=1S/C14H14F2N2S/c1-10(11-5-4-8-17-9-11)18-12-6-2-3-7-13(12)19-14(15)16/h2-10,14,18H,1H3
InChIKeyKBWIAAWLGBGHJI-UHFFFAOYSA-N
XLogP4.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43194891
2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
CID 63264817
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
2-(methoxymethyl)-N-(1-pyridin-3-ylethyl)aniline
CID 43677982
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
N-(1-pyridin-3-ylethyl)-1H-indazol-4-amine
CID 54865736
3,4,5-trifluoro-N-(1-pyridin-3-ylethyl)aniline
CID 62810175
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
N-[1-(2,4-dichlorophenyl)ethyl]-2-(difluoromethylsulfanyl)aniline
CID 43102689
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
2-(difluoromethyl)-4-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 63748816
N,2-dimethyl-3-(1-pyridin-3-ylethylamino)benzamide
CID 43734586

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline (CID 43192339) is 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline is CC(Nc1ccccc1SC(F)F)c1cccnc1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline?
The InChIKey is KBWIAAWLGBGHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c1-10(11-5-4-8-17-9-11)18-12-6-2-3-7-13(12)19-14(15)16/h2-10,14,18H,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline?
2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline has a molecular weight of 280.34 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(1-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 43192339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).