(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine

C12H11BrClNS — CID 102827146

IUPAC(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
SMILESCc1sc(C(N)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H11BrClNS/c1-7-10(13)6-11(16-7)12(15)8-2-4-9(14)5-3-8/h2-6,12H,15H2,1H3
InChIKeyPIPDDTROYSCGIA-UHFFFAOYSA-N
MW316.65 g/mol
LogP4.52
Rot. Bonds2

About (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine

(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine (PubChem CID 102827146) has the molecular formula C12H11BrClNS and a molecular weight of 316.65 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
PubChem CID102827146
Molecular FormulaC12H11BrClNS
Molecular Weight316.65 g/mol
Exact Mass314.95
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
SMILESCc1sc(C(N)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C12H11BrClNS/c1-7-10(13)6-11(16-7)12(15)8-2-4-9(14)5-3-8/h2-6,12H,15H2,1H3
InChIKeyPIPDDTROYSCGIA-UHFFFAOYSA-N
XLogP4.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine 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

(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
CID 102827103
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
3-bromo-5-[chloro-(3-chloro-4-fluorophenyl)methyl]-2-methylthiophene
CID 102835536
3-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 107959212
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(1R)-1-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839149
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
2-(4-bromo-5-methylthiophen-2-yl)-2-(4-chloroanilino)acetamide
CID 102840307
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine (CID 102827146) is (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine is Cc1sc(C(N)c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine?
The InChIKey is PIPDDTROYSCGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClNS/c1-7-10(13)6-11(16-7)12(15)8-2-4-9(14)5-3-8/h2-6,12H,15H2,1H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine?
(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine has a molecular weight of 316.65 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 102827146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).