1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine

C11H11Br2NOS — CID 107968943

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cc(Br)sc1Br
InChIInChI=1S/C11H11Br2NOS/c1-14-9(4-7-2-3-15-6-7)8-5-10(12)16-11(8)13/h2-3,5-6,9,14H,4H2,1H3
InChIKeyHSHHWAOFXOFABC-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.37
Rot. Bonds4

About 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine

1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 107968943) has the molecular formula C11H11Br2NOS and a molecular weight of 365.09 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID107968943
Molecular FormulaC11H11Br2NOS
Molecular Weight365.09 g/mol
Exact Mass362.89
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1cc(Br)sc1Br
InChIInChI=1S/C11H11Br2NOS/c1-14-9(4-7-2-3-15-6-7)8-5-10(12)16-11(8)13/h2-3,5-6,9,14H,4H2,1H3
InChIKeyHSHHWAOFXOFABC-UHFFFAOYSA-N
XLogP4.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 107968942
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 43486882
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107968162
1-(2,5-dibromothiophen-3-yl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 107968131
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 107968090
1-(2,5-dibromothiophen-3-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 107968086
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(2,5-dibromothiophen-3-yl)-N,3,3-trimethylbutan-1-amine
CID 43486942
1-(2,5-dibromothiophen-3-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 107968755
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
2-(furan-3-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105029930
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
CID 83183465

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine (CID 107968943) is 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is HSHHWAOFXOFABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NOS/c1-14-9(4-7-2-3-15-6-7)8-5-10(12)16-11(8)13/h2-3,5-6,9,14H,4H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine?
1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 365.09 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 107968943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).