2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine

C16H17BrFNS — CID 105020651

IUPAC2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1ccc(SC)cc1
InChIInChI=1S/C16H17BrFNS/c1-19-15(11-6-8-13(20-2)9-7-11)10-12-4-3-5-14(18)16(12)17/h3-9,15,19H,10H2,1-2H3
InChIKeyQGMYTZNEZPHLMU-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.81
Rot. Bonds5

About 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine

2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 105020651) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID105020651
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC Name2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1cccc(F)c1Br)c1ccc(SC)cc1
InChIInChI=1S/C16H17BrFNS/c1-19-15(11-6-8-13(20-2)9-7-11)10-12-4-3-5-14(18)16(12)17/h3-9,15,19H,10H2,1-2H3
InChIKeyQGMYTZNEZPHLMU-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

2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 105020535
N-methyl-1-(4-methylsulfanylphenyl)-2-(2-nitrophenyl)ethanamine
CID 79213455
2-(2,6-difluorophenyl)-1-(4-ethylsulfanylphenyl)-N-methylethanamine
CID 106849015
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 105172203
[2-(2-bromo-3-fluorophenyl)-1-(4-ethoxyphenyl)ethyl]hydrazine
CID 105327049
2-(2-bromo-3-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 107968820
2-(2-chloro-3-fluorophenyl)-N-methyl-1-phenylethanamine
CID 112653601
2-(2-bromo-3-fluorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127872
1-(2-bromo-3-fluorophenyl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032328
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
2-(2-bromo-3-fluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylethanamine
CID 105172170
[2-(2-bromo-3-fluorophenyl)-1-(4-bromo-3-fluorophenyl)ethyl]hydrazine
CID 105327124

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine (CID 105020651) is 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine is CNC(Cc1cccc(F)c1Br)c1ccc(SC)cc1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is QGMYTZNEZPHLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c1-19-15(11-6-8-13(20-2)9-7-11)10-12-4-3-5-14(18)16(12)17/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
2-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-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-(2-bromo-3-fluorophenyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 105020651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).