2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine

C13H12BrFN2S — CID 66056882

IUPAC2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESNC(CSc1ccc(Br)cc1)c1cncc(F)c1
InChIInChI=1S/C13H12BrFN2S/c14-10-1-3-12(4-2-10)18-8-13(16)9-5-11(15)7-17-6-9/h1-7,13H,8,16H2
InChIKeyUDTBJFQYWBLBNT-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.78
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine

2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine (PubChem CID 66056882) has the molecular formula C13H12BrFN2S and a molecular weight of 327.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
PubChem CID66056882
Molecular FormulaC13H12BrFN2S
Molecular Weight327.22 g/mol
Exact Mass325.99
IUPAC Name2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
SMILESNC(CSc1ccc(Br)cc1)c1cncc(F)c1
InChIInChI=1S/C13H12BrFN2S/c14-10-1-3-12(4-2-10)18-8-13(16)9-5-11(15)7-17-6-9/h1-7,13H,8,16H2
InChIKeyUDTBJFQYWBLBNT-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)sulfanyl-1-(3-fluorophenyl)ethanamine
CID 66056474
1-(5-fluoro-3-pyridinyl)-2-(4-methylphenyl)sulfanylethanol
CID 66065980
2-butan-2-ylsulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 65136425
2-(4-bromophenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66055692
2-(4-bromophenyl)sulfanyl-1-(5-methyl-3-pyridinyl)ethanol
CID 115374163
1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)sulfanylethanamine
CID 66071589
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-(4-bromophenyl)-N-[1-(5-fluoro-3-pyridinyl)ethyl]ethanamine
CID 103779508
2-(4-fluorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66271230
(2S)-1-(4-bromophenyl)sulfanylpropan-2-amine
CID 95457418
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanylethanamine
CID 114656014
2-(2,6-dimethylphenyl)-1-(5-fluoro-3-pyridinyl)ethanamine
CID 105174686

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine (CID 66056882) is 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine is NC(CSc1ccc(Br)cc1)c1cncc(F)c1.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
The InChIKey is UDTBJFQYWBLBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2S/c14-10-1-3-12(4-2-10)18-8-13(16)9-5-11(15)7-17-6-9/h1-7,13H,8,16H2.
What are the key properties of 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine?
2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine has a molecular weight of 327.22 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanamine is sourced from PubChem (CID 66056882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).