1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine

C7H9BrClNS — CID 102828282

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H9BrClNS/c1-4(10-2)6-3-5(8)7(9)11-6/h3-4,10H,1-2H3
InChIKeyASKNHMCUXFBZBL-UHFFFAOYSA-N
MW254.58 g/mol
LogP3.44
Rot. Bonds2

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

1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine (PubChem CID 102828282) has the molecular formula C7H9BrClNS and a molecular weight of 254.58 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
PubChem CID102828282
Molecular FormulaC7H9BrClNS
Molecular Weight254.58 g/mol
Exact Mass252.93
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc(Br)c(Cl)s1
InChIInChI=1S/C7H9BrClNS/c1-4(10-2)6-3-5(8)7(9)11-6/h3-4,10H,1-2H3
InChIKeyASKNHMCUXFBZBL-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.58
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 102828326
2-(4-bromo-5-chlorothiophen-2-yl)-2-(methylamino)acetonitrile
CID 102840089
1-[2-(4-bromo-5-chlorothiophen-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 102843629
1-(4-bromo-5-chlorothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 102828344
1-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 102828405
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-bromo-5-chlorothiophen-2-yl)-N-methylmethanamine
CID 102828328
1-(4-bromo-5-chlorothiophen-2-yl)-N,3,3-trimethylbutan-1-amine
CID 102828241
1-(4-bromo-5-chlorothiophen-2-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 102828331
1-(4-bromo-5-chlorothiophen-2-yl)-N,2,2-trimethylbutan-1-amine
CID 102828223
1-(4-bromo-5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 102828379
1-(4-bromo-5-chlorothiophen-2-yl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-methylmethanamine
CID 102828194
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine (CID 102828282) is 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine is CNC(C)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine?
The InChIKey is ASKNHMCUXFBZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClNS/c1-4(10-2)6-3-5(8)7(9)11-6/h3-4,10H,1-2H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine has a molecular weight of 254.58 g/mol, XLogP of 3.44, 2 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-methylethanamine is sourced from PubChem (CID 102828282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).