1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine

C13H12Br2FNS — CID 114887025

IUPAC1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1c(F)cccc1Br
InChIInChI=1S/C13H12Br2FNS/c1-17-11(7-8-5-6-12(15)18-8)13-9(14)3-2-4-10(13)16/h2-6,11,17H,7H2,1H3
InChIKeyXOEURELOJBCIKW-UHFFFAOYSA-N
MW393.12 g/mol
LogP4.92
Rot. Bonds4

About 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine

1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 114887025) has the molecular formula C13H12Br2FNS and a molecular weight of 393.12 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
PubChem CID114887025
Molecular FormulaC13H12Br2FNS
Molecular Weight393.12 g/mol
Exact Mass390.90
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1c(F)cccc1Br
InChIInChI=1S/C13H12Br2FNS/c1-17-11(7-8-5-6-12(15)18-8)13-9(14)3-2-4-10(13)16/h2-6,11,17H,7H2,1H3
InChIKeyXOEURELOJBCIKW-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
1-(5-bromothiophen-2-yl)-3-(2,6-difluorophenyl)-N-methylpropan-2-amine
CID 115840992
1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 114886949
1-(2-bromo-6-fluorophenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114559924
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
CID 114886897
2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 55095213
1-(2-bromo-6-fluorophenyl)-2-(5-ethylthiophen-2-yl)ethanamine
CID 114886671
[2-(5-bromothiophen-2-yl)-1-(2,3-difluorophenyl)ethyl]hydrazine
CID 105295770
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(5-bromothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115841034
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
1-(2-bromo-6-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 114886948

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine (CID 114887025) is 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine is CNC(Cc1ccc(Br)s1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is XOEURELOJBCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2FNS/c1-17-11(7-8-5-6-12(15)18-8)13-9(14)3-2-4-10(13)16/h2-6,11,17H,7H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine?
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 393.12 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 114887025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).