5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline

C13H13Br2NS — CID 102833355

IUPAC5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1cc(Br)c(C)s1
InChIInChI=1S/C13H13Br2NS/c1-8-3-4-10(14)5-13(8)16-7-11-6-12(15)9(2)17-11/h3-6,16H,7H2,1-2H3
InChIKeyPPOOSJOYTJGRQM-UHFFFAOYSA-N
MW375.13 g/mol
LogP5.50
Rot. Bonds3

About 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline

5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline (PubChem CID 102833355) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
PubChem CID102833355
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NCc1cc(Br)c(C)s1
InChIInChI=1S/C13H13Br2NS/c1-8-3-4-10(14)5-13(8)16-7-11-6-12(15)9(2)17-11/h3-6,16H,7H2,1-2H3
InChIKeyPPOOSJOYTJGRQM-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.13
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-fluoroaniline
CID 102830284
3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 102833788
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,5-dimethylphenol
CID 106953702
5-[(5-bromo-2-methylanilino)methyl]thiophene-2-carbonitrile
CID 115742776
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylaniline
CID 102830288
3-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylbenzene-1,3-diamine
CID 65246174
5-bromo-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylaniline
CID 43787810
2,4-dibromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-5-methoxyaniline
CID 103411374
5-bromo-2-methyl-N-[(4-phenylthiophen-2-yl)methyl]aniline
CID 63445697
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 102832541
1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
CID 102835062
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,3,4,5,6-pentafluoroaniline
CID 102836995

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline (CID 102833355) is 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline is Cc1ccc(Br)cc1NCc1cc(Br)c(C)s1.
What is the InChIKey of 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline?
The InChIKey is PPOOSJOYTJGRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-8-3-4-10(14)5-13(8)16-7-11-6-12(15)9(2)17-11/h3-6,16H,7H2,1-2H3.
What are the key properties of 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline?
5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline has a molecular weight of 375.13 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline is sourced from PubChem (CID 102833355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).