N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine

C15H17FN2S — CID 65143289

IUPACN-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1cncc(F)c1
InChIInChI=1S/C15H17FN2S/c1-2-18-15(12-8-13(16)10-17-9-12)11-19-14-6-4-3-5-7-14/h3-10,15,18H,2,11H2,1H3
InChIKeyXFFLNQFYZAWTMA-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.66
Rot. Bonds6

About N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine

N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine (PubChem CID 65143289) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
PubChem CID65143289
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC NameN-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine
SMILESCCNC(CSc1ccccc1)c1cncc(F)c1
InChIInChI=1S/C15H17FN2S/c1-2-18-15(12-8-13(16)10-17-9-12)11-19-14-6-4-3-5-7-14/h3-10,15,18H,2,11H2,1H3
InChIKeyXFFLNQFYZAWTMA-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374715
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135758
N-[(5-fluoro-3-pyridinyl)-phenylmethyl]ethanamine
CID 54967779
1-(2-chloro-5-fluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 105395026
1-(2,6-difluorophenyl)-N-ethyl-2-phenylsulfanylethanamine
CID 65143565
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-pyridin-4-ylethanamine
CID 62551241
2-(3-chlorophenyl)sulfanyl-N-ethyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374735
N-ethyl-1-(3-methylphenyl)-2-phenylsulfanylethanamine
CID 64619202
2-(2,3-difluorophenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 115805148
N-(2-phenylsulfanyl-1-pyrimidin-5-ylethyl)propan-1-amine
CID 65143673
N-ethyl-3-(5-fluoro-3-pyridinyl)-1-phenylpropan-1-amine
CID 64500356
N-ethyl-2-(2-methylphenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374729

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine (CID 65143289) is N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine is CCNC(CSc1ccccc1)c1cncc(F)c1.
What is the InChIKey of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine?
The InChIKey is XFFLNQFYZAWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-2-18-15(12-8-13(16)10-17-9-12)11-19-14-6-4-3-5-7-14/h3-10,15,18H,2,11H2,1H3.
What are the key properties of N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine?
N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-3-pyridinyl)-2-phenylsulfanylethanamine is sourced from PubChem (CID 65143289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).