1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine

C13H13BrClNS — CID 65279769

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1sc(C)cc1Br
InChIInChI=1S/C13H13BrClNS/c1-8-7-10(14)13(17-8)12(16-2)9-5-3-4-6-11(9)15/h3-7,12,16H,1-2H3
InChIKeyZGAGUWSBUNOJAV-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.78
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine

1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine (PubChem CID 65279769) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
PubChem CID65279769
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCNC(c1ccccc1Cl)c1sc(C)cc1Br
InChIInChI=1S/C13H13BrClNS/c1-8-7-10(14)13(17-8)12(16-2)9-5-3-4-6-11(9)15/h3-7,12,16H,1-2H3
InChIKeyZGAGUWSBUNOJAV-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-[bromo-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65278669
3-bromo-2-[chloro-(2-chlorophenyl)methyl]-5-methylthiophene
CID 65279022
1-(3-bromo-5-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 65279026
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 65279831
1-(3-bromo-5-methylthiophen-2-yl)-1-(4-chloro-2,5-difluorophenyl)-N-methylmethanamine
CID 82782544
1-(2-bromophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 81155894
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(5-bromo-2-fluorophenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 65279234
1-(3-chloro-4-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 103405291
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
1-(4-bromo-3-methylphenyl)-1-(3-bromo-5-methylthiophen-2-yl)-N-methylmethanamine
CID 113396708
3-bromo-2-[chloro-(3-chloro-2-fluorophenyl)methyl]-5-methylthiophene
CID 81262291

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine (CID 65279769) is 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine is CNC(c1ccccc1Cl)c1sc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
The InChIKey is ZGAGUWSBUNOJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-8-7-10(14)13(17-8)12(16-2)9-5-3-4-6-11(9)15/h3-7,12,16H,1-2H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine?
1-(3-bromo-5-methylthiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine has a molecular weight of 330.68 g/mol, XLogP of 4.78, 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)-1-(2-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 65279769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).