1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine

C13H11Br2F2NS — CID 80536245

IUPAC1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1cc(F)c(C)cc1F
InChIInChI=1S/C13H11Br2F2NS/c1-6-3-10(17)7(4-9(6)16)12(18-2)11-5-8(14)13(15)19-11/h3-5,12,18H,1-2H3
InChIKeyFVERZFUMLDWBLT-UHFFFAOYSA-N
MW411.11 g/mol
LogP5.17
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine

1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 80536245) has the molecular formula C13H11Br2F2NS and a molecular weight of 411.11 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID80536245
Molecular FormulaC13H11Br2F2NS
Molecular Weight411.11 g/mol
Exact Mass408.89
IUPAC Name1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(Br)c(Br)s1)c1cc(F)c(C)cc1F
InChIInChI=1S/C13H11Br2F2NS/c1-6-3-10(17)7(4-9(6)16)12(18-2)11-5-8(14)13(15)19-11/h3-5,12,18H,1-2H3
InChIKeyFVERZFUMLDWBLT-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.11
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-5-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 105398881
1-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80533162
1-(5-bromo-4-methylthiophen-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 79981647
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
(4,5-dibromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 80536104
1-(3-bromo-4-fluorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107950732
[(4,5-dibromothiophen-2-yl)-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105302870
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 106764942
1-(2-bromo-6-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 114559095
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 80533134
N-[(5-bromo-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methyl]propan-2-amine
CID 79976705
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine (CID 80536245) is 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1cc(Br)c(Br)s1)c1cc(F)c(C)cc1F.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is FVERZFUMLDWBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2F2NS/c1-6-3-10(17)7(4-9(6)16)12(18-2)11-5-8(14)13(15)19-11/h3-5,12,18H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine?
1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 411.11 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 80536245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).