1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

C13H16BrNOS — CID 79981581

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)c1cc(C)oc1C
InChIInChI=1S/C13H16BrNOS/c1-7-5-11(17-13(7)14)12(15-4)10-6-8(2)16-9(10)3/h5-6,12,15H,1-4H3
InChIKeyFCINKTARJBDWNR-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.34
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine

1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (PubChem CID 79981581) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
PubChem CID79981581
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)c1cc(C)oc1C
InChIInChI=1S/C13H16BrNOS/c1-7-5-11(17-13(7)14)12(15-4)10-6-8(2)16-9(10)3/h5-6,12,15H,1-4H3
InChIKeyFCINKTARJBDWNR-UHFFFAOYSA-N
XLogP4.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477863
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955
1-(5-bromothiophen-3-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 107960902
1-(2-bromo-5-iodophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 114027607
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 105056785
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-diethylphenyl)-N-methylmethanamine
CID 79981150
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
1-(2,5-dimethylfuran-3-yl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 114820181
1-(5-bromo-4-methylthiophen-2-yl)-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102649096
1-(5-bromo-4-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine (CID 79981581) is 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is CNC(c1cc(C)c(Br)s1)c1cc(C)oc1C.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
The InChIKey is FCINKTARJBDWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-7-5-11(17-13(7)14)12(15-4)10-6-8(2)16-9(10)3/h5-6,12,15H,1-4H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine has a molecular weight of 314.25 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79981581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).