2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine

C14H15FN2S — CID 66271230

IUPAC2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)CSc1ccc(F)cc1
InChIInChI=1S/C14H15FN2S/c1-10-6-7-17-8-13(10)14(16)9-18-12-4-2-11(15)3-5-12/h2-8,14H,9,16H2,1H3
InChIKeyOHGOOJJQLSLDIM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine

2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 66271230) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID66271230
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)CSc1ccc(F)cc1
InChIInChI=1S/C14H15FN2S/c1-10-6-7-17-8-13(10)14(16)9-18-12-4-2-11(15)3-5-12/h2-8,14H,9,16H2,1H3
InChIKeyOHGOOJJQLSLDIM-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylethanamine
CID 66065190
2-(4-chlorophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanamine
CID 104738386
3-[1-amino-2-(4-fluorophenyl)sulfanylethyl]-5-methylpyridin-2-amine
CID 66073260
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
2-(4-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271619
(2S)-1-(4-fluorophenyl)sulfanylpropan-2-amine
CID 95436389
2-(4-fluorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229127
2-(3-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanol
CID 66271190
2-(4-fluorophenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707834
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
1-(5-fluoro-2-methylphenyl)-2-(3-methylphenyl)sulfanylethanamine
CID 66088925

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine (CID 66271230) is 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)CSc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is OHGOOJJQLSLDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c1-10-6-7-17-8-13(10)14(16)9-18-12-4-2-11(15)3-5-12/h2-8,14H,9,16H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine?
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 262.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 66271230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).