1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C12H14BrNOS — CID 107960902

IUPAC1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1cc(C)oc1C
InChIInChI=1S/C12H14BrNOS/c1-7-4-10(8(2)15-7)12(14-3)9-5-11(13)16-6-9/h4-6,12,14H,1-3H3
InChIKeyRMDVUVUKJGZICP-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.03
Rot. Bonds3

About 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 107960902) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID107960902
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1csc(Br)c1)c1cc(C)oc1C
InChIInChI=1S/C12H14BrNOS/c1-7-4-10(8(2)15-7)12(14-3)9-5-11(13)16-6-9/h4-6,12,14H,1-3H3
InChIKeyRMDVUVUKJGZICP-UHFFFAOYSA-N
XLogP4.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-3-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 107960898
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(5-bromothiophen-3-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 105094830
[(2,5-dimethylfuran-3-yl)-(5-methylthiophen-3-yl)methyl]hydrazine
CID 105313245
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 79981581
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107960685
1-(3-chloro-5-methylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81323562
1-(5-bromothiophen-3-yl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 107961080
1-(1-benzothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43485732
1-(3-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 106647686

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 107960902) is 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1csc(Br)c1)c1cc(C)oc1C.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is RMDVUVUKJGZICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-7-4-10(8(2)15-7)12(14-3)9-5-11(13)16-6-9/h4-6,12,14H,1-3H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 300.22 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 107960902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).