1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

C14H15BrClNS — CID 102763637

IUPAC1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Cl)s1)c1cc(C)ccc1Br
InChIInChI=1S/C14H15BrClNS/c1-8-4-5-11(15)10(6-8)13(17-3)12-7-9(2)14(16)18-12/h4-7,13,17H,1-3H3
InChIKeyOVQPETQXESVLES-UHFFFAOYSA-N
MW344.71 g/mol
LogP5.09
Rot. Bonds3

About 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine

1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (PubChem CID 102763637) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
PubChem CID102763637
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(C)c(Cl)s1)c1cc(C)ccc1Br
InChIInChI=1S/C14H15BrClNS/c1-8-4-5-11(15)10(6-8)13(17-3)12-7-9(2)14(16)18-12/h4-7,13,17H,1-3H3
InChIKeyOVQPETQXESVLES-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.71
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-methylphenyl)-1-(5-chloro-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-[2-bromo-5-(trifluoromethyl)phenyl]-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763792
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102828304
1-(5-chloro-4-methylthiophen-2-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 102763724
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
1-(2-bromo-5-iodophenyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-methylmethanamine
CID 114027607
1-(5-chloro-4-methylthiophen-2-yl)-1-(2-ethylphenyl)-N-methylmethanamine
CID 102763744
1-(5-chloro-4-methylthiophen-2-yl)-N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CID 102763622
N-[(2-bromophenyl)-(5-chloro-4-methylthiophen-2-yl)methyl]ethanamine
CID 102763887
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
1-(5-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483741
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3-bromo-2-methylphenyl)-N-methylmethanamine
CID 102828340

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine (CID 102763637) is 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is CNC(c1cc(C)c(Cl)s1)c1cc(C)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is OVQPETQXESVLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClNS/c1-8-4-5-11(15)10(6-8)13(17-3)12-7-9(2)14(16)18-12/h4-7,13,17H,1-3H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine?
1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 344.71 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 102763637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).