(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

C12H14BrNOS — CID 65279118

IUPAC(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2sc(C)cc2Br)c(C)o1
InChIInChI=1S/C12H14BrNOS/c1-6-4-9(8(3)15-6)11(14)12-10(13)5-7(2)16-12/h4-5,11H,14H2,1-3H3
InChIKeyUNTKOXVFDJAWFO-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.08
Rot. Bonds2

About (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine

(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 65279118) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID65279118
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2sc(C)cc2Br)c(C)o1
InChIInChI=1S/C12H14BrNOS/c1-6-4-9(8(3)15-6)11(14)12-10(13)5-7(2)16-12/h4-5,11H,14H2,1-3H3
InChIKeyUNTKOXVFDJAWFO-UHFFFAOYSA-N
XLogP4.08
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[bromo-(3-bromo-5-methylthiophen-2-yl)methyl]-2,5-dimethylfuran
CID 65278348
(3-bromo-5-methylthiophen-2-yl)-(2,4,5-trimethoxyphenyl)methanamine
CID 65279071
(3-bromo-5-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanamine
CID 65279444
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068
(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
CID 65279660
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
(3-bromo-5-methylthiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65279274
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 65279118) is (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2sc(C)cc2Br)c(C)o1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is UNTKOXVFDJAWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-6-4-9(8(3)15-6)11(14)12-10(13)5-7(2)16-12/h4-5,11H,14H2,1-3H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 300.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65279118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).