1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

C11H11Br2NS2 — CID 80533190

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1sccc1C
InChIInChI=1S/C11H11Br2NS2/c1-6-3-4-15-10(6)9(14-2)8-5-7(12)11(13)16-8/h3-5,9,14H,1-2H3
InChIKeyVDTLLRZALNBCEJ-UHFFFAOYSA-N
MW381.16 g/mol
LogP4.95
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (PubChem CID 80533190) has the molecular formula C11H11Br2NS2 and a molecular weight of 381.16 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
PubChem CID80533190
Molecular FormulaC11H11Br2NS2
Molecular Weight381.16 g/mol
Exact Mass378.87
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1sccc1C
InChIInChI=1S/C11H11Br2NS2/c1-6-3-4-15-10(6)9(14-2)8-5-7(12)11(13)16-8/h3-5,9,14H,1-2H3
InChIKeyVDTLLRZALNBCEJ-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.16
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 80533033
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 65237462
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 80531359
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 105166566
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 102828798
1-(4,5-dibromothiophen-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057656
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 102842851
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 80533134

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine (CID 80533190) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is CNC(c1cc(Br)c(Br)s1)c1sccc1C.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
The InChIKey is VDTLLRZALNBCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NS2/c1-6-3-4-15-10(6)9(14-2)8-5-7(12)11(13)16-8/h3-5,9,14H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine has a molecular weight of 381.16 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 80533190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).