1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine

C12H14BrNOS — CID 107960959

IUPAC1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2csc(Br)c2)o1
InChIInChI=1S/C12H14BrNOS/c1-3-9-4-5-10(15-9)12(14-2)8-6-11(13)16-7-8/h4-7,12,14H,3H2,1-2H3
InChIKeyIXPLRAYYGGDCPJ-UHFFFAOYSA-N
MW300.22 g/mol
LogP3.97
Rot. Bonds4

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

1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (PubChem CID 107960959) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
PubChem CID107960959
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2csc(Br)c2)o1
InChIInChI=1S/C12H14BrNOS/c1-3-9-4-5-10(15-9)12(14-2)8-6-11(13)16-7-8/h4-7,12,14H,3H2,1-2H3
InChIKeyIXPLRAYYGGDCPJ-UHFFFAOYSA-N
XLogP3.97
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 ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromofuran-2-yl)-1-(5-bromothiophen-3-yl)-N-methylmethanamine
CID 107961154
1-(5-bromothiophen-3-yl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 107960898
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62345338
1-(3,4-dimethylphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346046
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 62344802
1-(5-bromothiophen-3-yl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105171222
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 62345160
1-(2-bromofuran-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 106851788
1-(5-ethylfuran-2-yl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 79095977
1-(2,3-dihydro-1H-inden-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 62346567
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105056762
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine (CID 107960959) is 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine is CCc1ccc(C(NC)c2csc(Br)c2)o1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
The InChIKey is IXPLRAYYGGDCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-3-9-4-5-10(15-9)12(14-2)8-6-11(13)16-7-8/h4-7,12,14H,3H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine?
1-(5-bromothiophen-3-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine has a molecular weight of 300.22 g/mol, XLogP of 3.97, 4 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-(5-ethylfuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107960959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).