2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine

C13H13BrClNS — CID 113471238

IUPAC2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C13H13BrClNS/c1-16-12(13-3-2-6-17-13)7-9-4-5-10(14)8-11(9)15/h2-6,8,12,16H,7H2,1H3
InChIKeyYIGCELHOMKDOIA-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.67
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine

2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine (PubChem CID 113471238) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
PubChem CID113471238
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cccs1
InChIInChI=1S/C13H13BrClNS/c1-16-12(13-3-2-6-17-13)7-9-4-5-10(14)8-11(9)15/h2-6,8,12,16H,7H2,1H3
InChIKeyYIGCELHOMKDOIA-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.68
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine 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

2-(4-bromo-2-chlorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 105037791
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983
N-[(4-bromo-2-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 115651396
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-6-fluorophenyl)-N-methylethanamine
CID 114886897
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
2-(2-chloro-4-methylphenyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107947153
2-(4-bromo-2-chlorophenyl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 105037680
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3,4-difluorophenyl)-N-methylethanamine
CID 107538920

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine (CID 113471238) is 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1cccs1.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine?
The InChIKey is YIGCELHOMKDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-16-12(13-3-2-6-17-13)7-9-4-5-10(14)8-11(9)15/h2-6,8,12,16H,7H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine?
2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine has a molecular weight of 330.68 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-N-methyl-1-thiophen-2-ylethanamine is sourced from PubChem (CID 113471238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).