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

C12H13Br2NS2 — CID 79981226

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)c1sc(C)cc1Br
InChIInChI=1S/C12H13Br2NS2/c1-6-4-9(17-12(6)14)10(15-3)11-8(13)5-7(2)16-11/h4-5,10,15H,1-3H3
InChIKeyWMXMPVYXFSYTEJ-UHFFFAOYSA-N
MW395.19 g/mol
LogP5.26
Rot. Bonds3

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

1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 79981226) has the molecular formula C12H13Br2NS2 and a molecular weight of 395.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID79981226
Molecular FormulaC12H13Br2NS2
Molecular Weight395.19 g/mol
Exact Mass392.89
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Br)s1)c1sc(C)cc1Br
InChIInChI=1S/C12H13Br2NS2/c1-6-4-9(17-12(6)14)10(15-3)11-8(13)5-7(2)16-11/h4-5,10,15H,1-3H3
InChIKeyWMXMPVYXFSYTEJ-UHFFFAOYSA-N
XLogP5.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.19
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 65279137
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 113396708
1-(2-bromo-5-iodophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 114027607
1-(4-bromo-2,5-dimethoxyphenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 105056785
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 79981581
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190
(5-bromo-4-methylthiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methanamine
CID 81156396
1-(5-bromo-4-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323718
1-(5-bromo-4-methylthiophen-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477863
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 107950722

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine (CID 79981226) is 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(Br)s1)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is WMXMPVYXFSYTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NS2/c1-6-4-9(17-12(6)14)10(15-3)11-8(13)5-7(2)16-11/h4-5,10,15H,1-3H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 395.19 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79981226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).