1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

C14H13BrF3NS — CID 65279026

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1sc(C)cc1Br
InChIInChI=1S/C14H13BrF3NS/c1-8-7-11(15)13(20-8)12(19-2)9-5-3-4-6-10(9)14(16,17)18/h3-7,12,19H,1-2H3
InChIKeyQPWNNOFWCJMKRO-UHFFFAOYSA-N
MW364.23 g/mol
LogP5.15
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine

1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 65279026) has the molecular formula C14H13BrF3NS and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID65279026
Molecular FormulaC14H13BrF3NS
Molecular Weight364.23 g/mol
Exact Mass362.99
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCNC(c1ccccc1C(F)(F)F)c1sc(C)cc1Br
InChIInChI=1S/C14H13BrF3NS/c1-8-7-11(15)13(20-8)12(19-2)9-5-3-4-6-10(9)14(16,17)18/h3-7,12,19H,1-2H3
InChIKeyQPWNNOFWCJMKRO-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-5-methylthiophene
CID 65278876
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 65279769
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 65279831
1-(2-bromophenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62801643
1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234
1-(5-bromo-2-methylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115853969
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103405957
1-(2,3-dimethylphenyl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 115850344
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)-N-methylmethanamine
CID 82782544
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 113396708

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine (CID 65279026) is 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is CNC(c1ccccc1C(F)(F)F)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is QPWNNOFWCJMKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF3NS/c1-8-7-11(15)13(20-8)12(19-2)9-5-3-4-6-10(9)14(16,17)18/h3-7,12,19H,1-2H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine?
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 364.23 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 65279026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).