2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine

C15H14BrF2NS — CID 66159611

IUPAC2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(CSc1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14BrF2NS/c1-19-15(13-8-11(17)5-6-14(13)18)9-20-12-4-2-3-10(16)7-12/h2-8,15,19H,9H2,1H3
InChIKeyOZDQMKIYMIHXRI-UHFFFAOYSA-N
MW358.25 g/mol
LogP4.78
Rot. Bonds5

About 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine

2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 66159611) has the molecular formula C15H14BrF2NS and a molecular weight of 358.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID66159611
Molecular FormulaC15H14BrF2NS
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(CSc1cccc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14BrF2NS/c1-19-15(13-8-11(17)5-6-14(13)18)9-20-12-4-2-3-10(16)7-12/h2-8,15,19H,9H2,1H3
InChIKeyOZDQMKIYMIHXRI-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-difluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072696
2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)-N-methylethanamine
CID 66159033
2-(3-bromophenyl)sulfanyl-1-(3-fluoro-5-methylphenyl)-N-methylethanamine
CID 79703608
2-(3-bromophenyl)sulfanyl-N-methyl-1-phenylethanamine
CID 64632010
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876
[2-(3-bromophenyl)sulfanyl-1-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105238344
2-(3-bromophenyl)sulfanyl-N-ethyl-1-(4-fluorophenyl)ethanamine
CID 66158848
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-phenylsulfanylethanamine
CID 82770137
1-(2-bromo-5-fluorophenyl)-3-(3-bromophenyl)sulfanyl-N-methylpropan-2-amine
CID 66158639
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
N-[2-(3-bromophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 66160810
[2-(3-bromophenyl)sulfanyl-1-(3,4-difluorophenyl)ethyl]hydrazine
CID 105238376

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine (CID 66159611) is 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine is CNC(CSc1cccc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is OZDQMKIYMIHXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NS/c1-19-15(13-8-11(17)5-6-14(13)18)9-20-12-4-2-3-10(16)7-12/h2-8,15,19H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine?
2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 358.25 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-1-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 66159611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).