[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine

C13H11BrFNS — CID 43657614

IUPAC[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H11BrFNS/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7H,8,16H2
InChIKeyGBHQBQXIISRINL-UHFFFAOYSA-N
MW312.21 g/mol
LogP4.20
Rot. Bonds3

About [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine

[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine (PubChem CID 43657614) has the molecular formula C13H11BrFNS and a molecular weight of 312.21 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
PubChem CID43657614
Molecular FormulaC13H11BrFNS
Molecular Weight312.21 g/mol
Exact Mass310.98
IUPAC Name[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine
SMILESNCc1ccc(Sc2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C13H11BrFNS/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7H,8,16H2
InChIKeyGBHQBQXIISRINL-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-(4-ethylphenyl)sulfanyl-2-fluorobenzene
CID 91877705
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63809916
N-[[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methyl]propan-1-amine
CID 63808159
[4-(2,5-difluorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 43657658
[3-bromo-4-(3,4-difluorophenyl)sulfanylphenyl]methanamine
CID 82809947
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
[4-(3-chlorophenyl)sulfanyl-3-fluorophenyl]methanamine
CID 62647190
(1R)-1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanamine
CID 63370337
[3-chloro-4-(4-fluorophenyl)sulfanylphenyl]methanamine
CID 63089190
1-[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]ethanol
CID 63813564
1-[4-(3-bromophenyl)sulfanyl-3-fluorophenyl]propan-2-amine
CID 63818502
[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methanamine
CID 61382947

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine?
The IUPAC name of [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine (CID 43657614) is [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine is NCc1ccc(Sc2ccc(Br)cc2)c(F)c1.
What is the InChIKey of [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine?
The InChIKey is GBHQBQXIISRINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNS/c14-10-2-4-11(5-3-10)17-13-6-1-9(8-16)7-12(13)15/h1-7H,8,16H2.
What are the key properties of [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine?
[4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine has a molecular weight of 312.21 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfanyl-3-fluorophenyl]methanamine is sourced from PubChem (CID 43657614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).