2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

C16H19FN2S — CID 115938659

IUPAC2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCSc1ccccc1NC(CC)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2S/c1-3-13(14-10-9-12(17)11-18-14)19-15-7-5-6-8-16(15)20-4-2/h5-11,13,19H,3-4H2,1-2H3
InChIKeyVZCZLQRFXFHJMF-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.90
Rot. Bonds6

About 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline

2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (PubChem CID 115938659) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.

Molecular Properties

Compound Name2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
PubChem CID115938659
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
SMILESCCSc1ccccc1NC(CC)c1ccc(F)cn1
InChIInChI=1S/C16H19FN2S/c1-3-13(14-10-9-12(17)11-18-14)19-15-7-5-6-8-16(15)20-4-2/h5-11,13,19H,3-4H2,1-2H3
InChIKeyVZCZLQRFXFHJMF-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-N-[1-(4-fluorophenyl)propyl]aniline
CID 63453355
2-tert-butyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 115938515
1-[2-[1-(5-fluoro-2-pyridinyl)propylamino]phenyl]ethanol
CID 115938696
3-chloro-2-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582927
3-N-[1-(5-fluoro-2-pyridinyl)propyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 115938549
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
N-[1-(5-fluoro-2-pyridinyl)propyl]-8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115938553
N-[1-(5-fluoro-2-pyridinyl)propyl]-2-propan-2-yloxypyridin-3-amine
CID 115938692
2-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-methylaniline
CID 112582820
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-phenylbutan-1-amine
CID 115938566
3-bromo-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582851
1-N-[1-(5-fluoro-2-pyridinyl)propyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 115938501

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The IUPAC name of 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline (CID 115938659) is 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline.
What is the SMILES notation for 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The canonical SMILES for 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is CCSc1ccccc1NC(CC)c1ccc(F)cn1.
What is the InChIKey of 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
The InChIKey is VZCZLQRFXFHJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-3-13(14-10-9-12(17)11-18-14)19-15-7-5-6-8-16(15)20-4-2/h5-11,13,19H,3-4H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline?
2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline has a molecular weight of 290.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline is sourced from PubChem (CID 115938659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).