1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine

C16H17BrFNS — CID 43286542

IUPAC1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C16H17BrFNS/c1-3-19-11(2)16-13(18)8-6-10-15(16)20-14-9-5-4-7-12(14)17/h4-11,19H,3H2,1-2H3
InChIKeyGWJJKLWSQUNOHB-UHFFFAOYSA-N
MW354.29 g/mol
LogP5.41
Rot. Bonds5

About 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine

1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine (PubChem CID 43286542) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine
PubChem CID43286542
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC Name1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine
SMILESCCNC(C)c1c(F)cccc1Sc1ccccc1Br
InChIInChI=1S/C16H17BrFNS/c1-3-19-11(2)16-13(18)8-6-10-15(16)20-14-9-5-4-7-12(14)17/h4-11,19H,3H2,1-2H3
InChIKeyGWJJKLWSQUNOHB-UHFFFAOYSA-N
XLogP5.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.29
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-methylethanamine
CID 43286543
N-ethyl-1-[2-fluoro-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 115383100
N-[1-[2-(2-chlorophenyl)sulfanyl-6-fluorophenyl]ethyl]propan-1-amine
CID 43286274
1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-fluorophenyl]-N-ethylethanamine
CID 106923307
N-[(2-bromo-6-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 114887292
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 114887240
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
1-[5-(2-bromophenyl)sulfanyl-2-pyridinyl]-N-ethylethanamine
CID 83124054
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
CID 114887178
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
N-[1-[3-bromo-4-(2-fluorophenyl)sulfanylphenyl]ethyl]propan-1-amine
CID 63533344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine (CID 43286542) is 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine is CCNC(C)c1c(F)cccc1Sc1ccccc1Br.
What is the InChIKey of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine?
The InChIKey is GWJJKLWSQUNOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c1-3-19-11(2)16-13(18)8-6-10-15(16)20-14-9-5-4-7-12(14)17/h4-11,19H,3H2,1-2H3.
What are the key properties of 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine?
1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine has a molecular weight of 354.29 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)sulfanyl-6-fluorophenyl]-N-ethylethanamine is sourced from PubChem (CID 43286542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).