1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

C11H11Br2NOS — CID 80533134

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1ccoc1C
InChIInChI=1S/C11H11Br2NOS/c1-6-7(3-4-15-6)10(14-2)9-5-8(12)11(13)16-9/h3-5,10,14H,1-2H3
InChIKeyRGPAGTKUOXWQQY-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.48
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (PubChem CID 80533134) has the molecular formula C11H11Br2NOS and a molecular weight of 365.09 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
PubChem CID80533134
Molecular FormulaC11H11Br2NOS
Molecular Weight365.09 g/mol
Exact Mass362.89
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1ccoc1C
InChIInChI=1S/C11H11Br2NOS/c1-6-7(3-4-15-6)10(14-2)9-5-8(12)11(13)16-9/h3-5,10,14H,1-2H3
InChIKeyRGPAGTKUOXWQQY-UHFFFAOYSA-N
XLogP4.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylmethanamine
CID 114103015
1-(3-bromofuran-2-yl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 115861591
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 43486875
N-methyl-1-(2-methylfuran-3-yl)-1-thiophen-2-ylmethanamine
CID 43483393
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 80536245
1-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80533162
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
1-(4,5-dibromothiophen-2-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856280
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 106764942
1-(3,5-dimethylphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 113453366
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789896

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine (CID 80533134) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is CNC(c1cc(Br)c(Br)s1)c1ccoc1C.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
The InChIKey is RGPAGTKUOXWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NOS/c1-6-7(3-4-15-6)10(14-2)9-5-8(12)11(13)16-9/h3-5,10,14H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine has a molecular weight of 365.09 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 80533134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).