N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine

C12H13BrClNS2 — CID 80531359

IUPACN-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)c(Br)s1)c1sccc1C
InChIInChI=1S/C12H13BrClNS2/c1-3-15-10(11-7(2)4-5-16-11)9-6-8(14)12(13)17-9/h4-6,10,15H,3H2,1-2H3
InChIKeyWCUFOUYZIWMLJY-UHFFFAOYSA-N
MW350.73 g/mol
LogP5.23
Rot. Bonds4

About N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine

N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine (PubChem CID 80531359) has the molecular formula C12H13BrClNS2 and a molecular weight of 350.73 g/mol. Its IUPAC name is N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
PubChem CID80531359
Molecular FormulaC12H13BrClNS2
Molecular Weight350.73 g/mol
Exact Mass348.94
IUPAC NameN-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)c(Br)s1)c1sccc1C
InChIInChI=1S/C12H13BrClNS2/c1-3-15-10(11-7(2)4-5-16-11)9-6-8(14)12(13)17-9/h4-6,10,15H,3H2,1-2H3
InChIKeyWCUFOUYZIWMLJY-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.73
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine 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

N-[(3-chlorothiophen-2-yl)-(4,5-dibromothiophen-2-yl)methyl]ethanamine
CID 80536325
N-[(5-bromo-4-methylthiophen-2-yl)-(3-bromothiophen-2-yl)methyl]ethanamine
CID 79991980
N-[(5-bromo-4-chlorothiophen-2-yl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107982085
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 102828798
N-[(5-bromo-4-chlorothiophen-2-yl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 80531167
N-[(2-bromo-4-chlorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 114024435
N-[1-benzothiophen-2-yl-(5-bromo-4-chlorothiophen-2-yl)methyl]ethanamine
CID 80531171
N-[(4-bromo-5-chloro-2-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105399003
1-(5-bromo-4-chlorothiophen-2-yl)-1-(3-bromothiophen-2-yl)-N-methylmethanamine
CID 80530701
N-[(4,5-dibromothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]ethanamine
CID 80534072
N-[(2-chloro-5-fluorophenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 105396828
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 80533190

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine (CID 80531359) is N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine is CCNC(c1cc(Cl)c(Br)s1)c1sccc1C.
What is the InChIKey of N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine?
The InChIKey is WCUFOUYZIWMLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClNS2/c1-3-15-10(11-7(2)4-5-16-11)9-6-8(14)12(13)17-9/h4-6,10,15H,3H2,1-2H3.
What are the key properties of N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine?
N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine has a molecular weight of 350.73 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-4-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 80531359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).