1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine

C13H13BrClNS — CID 102828408

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H13BrClNS/c1-16-11(7-9-5-3-2-4-6-9)12-8-10(14)13(15)17-12/h2-6,8,11,16H,7H2,1H3
InChIKeyUDDMHLKIWBJTKA-UHFFFAOYSA-N
MW330.68 g/mol
LogP4.67
Rot. Bonds4

About 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine

1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine (PubChem CID 102828408) has the molecular formula C13H13BrClNS and a molecular weight of 330.68 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
PubChem CID102828408
Molecular FormulaC13H13BrClNS
Molecular Weight330.68 g/mol
Exact Mass328.96
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C13H13BrClNS/c1-16-11(7-9-5-3-2-4-6-9)12-8-10(14)13(15)17-12/h2-6,8,11,16H,7H2,1H3
InChIKeyUDDMHLKIWBJTKA-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 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine 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-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102828241
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
CID 65238920
1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-(3-bromophenyl)ethyl]propan-1-amine
CID 102828771
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 80532976
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 115830504
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(4-bromo-5-chlorothiophen-2-yl)-3-phenylpropan-1-ol
CID 102829973
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-fluorophenyl)-N-methylethanamine
CID 80531073

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine (CID 102828408) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine?
The InChIKey is UDDMHLKIWBJTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClNS/c1-16-11(7-9-5-3-2-4-6-9)12-8-10(14)13(15)17-12/h2-6,8,11,16H,7H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine 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 1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 102828408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).