1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine

C13H12Br2ClNS — CID 107950722

IUPAC1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(Br)s1
InChIInChI=1S/C13H12Br2ClNS/c1-7-3-11(18-13(7)15)12(17-2)8-4-9(14)6-10(16)5-8/h3-6,12,17H,1-2H3
InChIKeyGPQNZYKMYFMFKK-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.54
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine

1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 107950722) has the molecular formula C13H12Br2ClNS and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID107950722
Molecular FormulaC13H12Br2ClNS
Molecular Weight409.57 g/mol
Exact Mass406.87
IUPAC Name1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(Br)s1
InChIInChI=1S/C13H12Br2ClNS/c1-7-3-11(18-13(7)15)12(17-2)8-4-9(14)6-10(16)5-8/h3-6,12,17H,1-2H3
InChIKeyGPQNZYKMYFMFKK-UHFFFAOYSA-N
XLogP5.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-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-(5-bromo-4-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 81323718
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(3-bromo-5-chlorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 107945175
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-(5-bromo-4-methylthiophen-2-yl)-1-(4-chloro-2-methylphenyl)-N-methylmethanamine
CID 114027955
1-(3-bromo-5-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 107945587
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-5-methylphenyl)-N-methylmethanamine
CID 102827385
1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854554
1-(3-bromo-5-methylthiophen-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 79981226
1-(3-bromo-5-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 107944932

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine (CID 107950722) is 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(Cl)cc(Br)c1)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is GPQNZYKMYFMFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2ClNS/c1-7-3-11(18-13(7)15)12(17-2)8-4-9(14)6-10(16)5-8/h3-6,12,17H,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine?
1-(3-bromo-5-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 409.57 g/mol, XLogP of 5.54, 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-chlorophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107950722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).