1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine

C14H13BrFNS — CID 43345405

IUPAC1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1Sc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNS/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9H,17H2,1H3
InChIKeyJUVKNHRIEJKPMG-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.76
Rot. Bonds3

About 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine

1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine (PubChem CID 43345405) has the molecular formula C14H13BrFNS and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine
PubChem CID43345405
Molecular FormulaC14H13BrFNS
Molecular Weight326.23 g/mol
Exact Mass324.99
IUPAC Name1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine
SMILESCC(N)c1cc(F)ccc1Sc1ccc(Br)cc1
InChIInChI=1S/C14H13BrFNS/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9H,17H2,1H3
InChIKeyJUVKNHRIEJKPMG-UHFFFAOYSA-N
XLogP4.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189308
(1R)-1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370337
1-[5-fluoro-2-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 43189296
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(1S)-1-[3-bromo-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 63370290
1-[3-bromo-4-(4-fluorophenyl)sulfanylphenyl]ethanamine
CID 62912787
1-[4-(2,4-difluorophenyl)sulfanylphenyl]ethanamine
CID 43167568
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1R)-1-[2-(4-bromophenyl)sulfanyl-6-fluorophenyl]ethanamine
CID 55184086
(1R)-1-[2-(4-chlorophenyl)sulfanyl-5-fluorophenyl]ethanol
CID 78952064
(1R)-1-(2-butylsulfanyl-5-fluorophenyl)ethanamine
CID 63370280
2-(4-bromophenyl)sulfanyl-5-fluorobenzoic acid
CID 63675209

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine (CID 43345405) is 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine is CC(N)c1cc(F)ccc1Sc1ccc(Br)cc1.
What is the InChIKey of 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine?
The InChIKey is JUVKNHRIEJKPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNS/c1-9(17)13-8-11(16)4-7-14(13)18-12-5-2-10(15)3-6-12/h2-9H,17H2,1H3.
What are the key properties of 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine?
1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine has a molecular weight of 326.23 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromophenyl)sulfanyl-5-fluorophenyl]ethanamine is sourced from PubChem (CID 43345405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).