2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

C12H14BrNS2 — CID 115841218

IUPAC2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1ccc(Br)s1)c1sccc1C
InChIInChI=1S/C12H14BrNS2/c1-8-5-6-15-12(8)10(14-2)7-9-3-4-11(13)16-9/h3-6,10,14H,7H2,1-2H3
InChIKeyXRTOHSUXODWUJQ-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.38
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115841218) has the molecular formula C12H14BrNS2 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID115841218
Molecular FormulaC12H14BrNS2
Molecular Weight316.29 g/mol
Exact Mass314.98
IUPAC Name2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCNC(Cc1ccc(Br)s1)c1sccc1C
InChIInChI=1S/C12H14BrNS2/c1-8-5-6-15-12(8)10(14-2)7-9-3-4-11(13)16-9/h3-6,10,14H,7H2,1-2H3
InChIKeyXRTOHSUXODWUJQ-UHFFFAOYSA-N
XLogP4.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115842662
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279
2-(5-bromothiophen-2-yl)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841258
2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 55095213
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 115840991
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115841037
2-(2-methoxy-5-methylphenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115826658
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
N-methyl-1-(3-methylthiophen-2-yl)nonan-1-amine
CID 65448392
N-methyl-1-(3-methylthiophen-2-yl)octan-1-amine
CID 63502985

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (CID 115841218) is 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is CNC(Cc1ccc(Br)s1)c1sccc1C.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is XRTOHSUXODWUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS2/c1-8-5-6-15-12(8)10(14-2)7-9-3-4-11(13)16-9/h3-6,10,14H,7H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 316.29 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115841218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).