2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

C13H12BrF2NS — CID 115848001

IUPAC2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2cc(Br)cs2)c1F
InChIInChI=1S/C13H12BrF2NS/c1-7-2-3-10(15)12(13(7)16)11(17)5-9-4-8(14)6-18-9/h2-4,6,11H,5,17H2,1H3
InChIKeyYVVMVQGXGDWUJN-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.34
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine

2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (PubChem CID 115848001) has the molecular formula C13H12BrF2NS and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
PubChem CID115848001
Molecular FormulaC13H12BrF2NS
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
SMILESCc1ccc(F)c(C(N)Cc2cc(Br)cs2)c1F
InChIInChI=1S/C13H12BrF2NS/c1-7-2-3-10(15)12(13(7)16)11(17)5-9-4-8(14)6-18-9/h2-4,6,11H,5,17H2,1H3
InChIKeyYVVMVQGXGDWUJN-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
1-(2-bromo-6-fluorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 114886786
2-(4-bromothiophen-2-yl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115847633
2-(5-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115839770
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanamine
CID 115844753
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 81279645
2-(4-bromothiophen-2-yl)-1-(3-methylthiophen-2-yl)ethanamine
CID 115847883
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
1-(2-bromo-3-methylphenyl)-2-(4-bromothiophen-2-yl)ethanamine
CID 107984904
2-(4-bromothiophen-2-yl)-1-(2,6-dimethoxyphenyl)ethanamine
CID 115847619
1-(2,6-difluoro-3-methylphenyl)ethane-1,2-diamine
CID 55272041
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluorophenyl)ethanamine
CID 82814538

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine (CID 115848001) is 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is Cc1ccc(F)c(C(N)Cc2cc(Br)cs2)c1F.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
The InChIKey is YVVMVQGXGDWUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NS/c1-7-2-3-10(15)12(13(7)16)11(17)5-9-4-8(14)6-18-9/h2-4,6,11H,5,17H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine has a molecular weight of 332.21 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(2,6-difluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 115848001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).