1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine

C14H15FN2S — CID 55014840

IUPAC1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
SMILESCC(N)C(Sc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2S/c1-10(16)14(11-5-7-12(15)8-6-11)18-13-4-2-3-9-17-13/h2-10,14H,16H2,1H3
InChIKeyWLPYLGIPSVMPMO-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine

1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine (PubChem CID 55014840) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
PubChem CID55014840
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine
SMILESCC(N)C(Sc1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2S/c1-10(16)14(11-5-7-12(15)8-6-11)18-13-4-2-3-9-17-13/h2-10,14H,16H2,1H3
InChIKeyWLPYLGIPSVMPMO-UHFFFAOYSA-N
XLogP3.40
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-2-amine
CID 55015420
1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 55015222
1-(4-fluorophenyl)-1-thiophen-2-ylsulfanylpropan-2-amine
CID 55015226
4-(1-pyridin-2-ylsulfanylethyl)aniline
CID 61263896
1-(4-fluorophenyl)-2-pyridin-2-ylpropan-1-amine
CID 66446030
(1S,2S)-1,2-diphenyl-2-pyridin-2-ylsulfanylethanol
CID 102509250
1-pyrazin-2-ylsulfanyl-1-pyridin-4-ylpropan-2-amine
CID 63380473
2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 20674333
ethane;2-(3-methylbutan-2-ylsulfanyl)pyridine
CID 91356772
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
1-(3-methylphenyl)-1-pyrimidin-4-ylsulfanylpropan-2-amine
CID 55232465
2-[1-(4-fluorophenyl)-2-methylpropyl]pyridine
CID 146530371

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine (CID 55014840) is 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine is CC(N)C(Sc1ccccn1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine?
The InChIKey is WLPYLGIPSVMPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-10(16)14(11-5-7-12(15)8-6-11)18-13-4-2-3-9-17-13/h2-10,14H,16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine?
1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine has a molecular weight of 262.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-pyridin-2-ylsulfanylpropan-2-amine is sourced from PubChem (CID 55014840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).