1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine

C13H12BrF2NS — CID 107513386

IUPAC1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)s1)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H12BrF2NS/c1-7-3-4-8(12(16)11(7)15)13(17-2)9-5-6-10(14)18-9/h3-6,13,17H,1-2H3
InChIKeyNWBROVMDJXKNCF-UHFFFAOYSA-N
MW332.21 g/mol
LogP4.41
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine

1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107513386) has the molecular formula C13H12BrF2NS and a molecular weight of 332.21 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107513386
Molecular FormulaC13H12BrF2NS
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)s1)c1ccc(C)c(F)c1F
InChIInChI=1S/C13H12BrF2NS/c1-7-3-4-8(12(16)11(7)15)13(17-2)9-5-6-10(14)18-9/h3-6,13,17H,1-2H3
InChIKeyNWBROVMDJXKNCF-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483741
(5-bromothiophen-2-yl)-(2,3-difluoro-4-methylphenyl)methanol
CID 107512137
1-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)-N-methylmethanamine
CID 61103986
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 107515323
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81477386
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(2,3-difluoro-4-methylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 107513662
1-(5-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749216
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
N-[(5-bromothiophen-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 61103404
1-(5-bromo-4-methylthiophen-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477863

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine (CID 107513386) is 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(Br)s1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is NWBROVMDJXKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NS/c1-7-3-4-8(12(16)11(7)15)13(17-2)9-5-6-10(14)18-9/h3-6,13,17H,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine has a molecular weight of 332.21 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107513386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).