1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine

C12H10BrF2NS — CID 80534877

IUPAC1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1F)c1sccc1Br
InChIInChI=1S/C12H10BrF2NS/c1-16-11(12-8(13)5-6-17-12)7-3-2-4-9(14)10(7)15/h2-6,11,16H,1H3
InChIKeyCFWXOFXJWGAGFQ-UHFFFAOYSA-N
MW318.19 g/mol
LogP4.10
Rot. Bonds3

About 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine (PubChem CID 80534877) has the molecular formula C12H10BrF2NS and a molecular weight of 318.19 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
PubChem CID80534877
Molecular FormulaC12H10BrF2NS
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(F)c1F)c1sccc1Br
InChIInChI=1S/C12H10BrF2NS/c1-16-11(12-8(13)5-6-17-12)7-3-2-4-9(14)10(7)15/h2-6,11,16H,1H3
InChIKeyCFWXOFXJWGAGFQ-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
1-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 63798443
1-(3-bromothiophen-2-yl)-N-methyl-1-(2-propan-2-yloxyphenyl)methanamine
CID 105018139
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(2,3-difluorophenyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 63990472
1-(3-bromothiophen-2-yl)-1-(2-cyclobutylphenyl)-N-methylmethanamine
CID 105052155
1-(2,3-difluorophenyl)-1-(furan-2-yl)-N-methylmethanamine
CID 62649885
[(2-bromo-6-fluorophenyl)-(3-bromothiophen-2-yl)methyl]hydrazine
CID 105280536
1-(3-bromothiophen-2-yl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877700
1-(4-bromo-2-chlorophenyl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80535100
[(3-bromothiophen-2-yl)-(3,4,5-trifluorophenyl)methyl]hydrazine
CID 105208216
1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032294

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine (CID 80534877) is 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine is CNC(c1cccc(F)c1F)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
The InChIKey is CFWXOFXJWGAGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NS/c1-16-11(12-8(13)5-6-17-12)7-3-2-4-9(14)10(7)15/h2-6,11,16H,1H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine has a molecular weight of 318.19 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(2,3-difluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 80534877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).