2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine

C12H14BrNOS — CID 104790070

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCNC(Cc1sccc1Br)c1ccoc1C
InChIInChI=1S/C12H14BrNOS/c1-8-9(3-5-15-8)11(14-2)7-12-10(13)4-6-16-12/h3-6,11,14H,7H2,1-2H3
InChIKeyKVKHRYDXZYANSP-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.92
Rot. Bonds4

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

2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104790070) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104790070
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCNC(Cc1sccc1Br)c1ccoc1C
InChIInChI=1S/C12H14BrNOS/c1-8-9(3-5-15-8)11(14-2)7-12-10(13)4-6-16-12/h3-6,11,14H,7H2,1-2H3
InChIKeyKVKHRYDXZYANSP-UHFFFAOYSA-N
XLogP3.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine
CID 114104279
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
2-(3-bromothiophen-2-yl)-1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115849141
2-(5-chlorothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104789911
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
2-(3,5-difluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 105406972

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine (CID 104790070) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is CNC(Cc1sccc1Br)c1ccoc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is KVKHRYDXZYANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-8-9(3-5-15-8)11(14-2)7-12-10(13)4-6-16-12/h3-6,11,14H,7H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine has a molecular weight of 300.22 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104790070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).