2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine

C16H17BrFNS — CID 115844772

IUPAC2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ccccc1SC
InChIInChI=1S/C16H17BrFNS/c1-19-15(13-5-3-4-6-16(13)20-2)9-11-7-8-12(17)10-14(11)18/h3-8,10,15,19H,9H2,1-2H3
InChIKeyJXQUBVXQTXUZRX-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.81
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine

2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine (PubChem CID 115844772) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
PubChem CID115844772
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cc1F)c1ccccc1SC
InChIInChI=1S/C16H17BrFNS/c1-19-15(13-5-3-4-6-16(13)20-2)9-11-7-8-12(17)10-14(11)18/h3-8,10,15,19H,9H2,1-2H3
InChIKeyJXQUBVXQTXUZRX-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(4-bromo-2-fluorophenyl)-N-methylethanamine
CID 114906489
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
2-(4-bromo-2-fluorophenyl)-N-methyl-1-pyrimidin-2-ylethanamine
CID 62600239
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 55095249
1-(4-bromo-2-fluorophenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62694239
2-(4-bromo-2-fluorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 115844724
[2-(4-bromo-2-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105297488
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-methylethanamine
CID 55186986
[2-(4-bromo-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105297343
1-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 55223564
2-(5-chloro-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine
CID 115845077
[2-(4-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethyl]hydrazine
CID 105297391

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine (CID 115844772) is 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine is CNC(Cc1ccc(Br)cc1F)c1ccccc1SC.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
The InChIKey is JXQUBVXQTXUZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c1-19-15(13-5-3-4-6-16(13)20-2)9-11-7-8-12(17)10-14(11)18/h3-8,10,15,19H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine?
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine has a molecular weight of 354.29 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 115844772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).