1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine

C12H19Br2NS — CID 80533794

IUPAC1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)c(Br)s1)C(C)CC
InChIInChI=1S/C12H19Br2NS/c1-4-6-15-11(8(3)5-2)10-7-9(13)12(14)16-10/h7-8,11,15H,4-6H2,1-3H3
InChIKeyRMCNDJNFKKSIJZ-UHFFFAOYSA-N
MW369.17 g/mol
LogP5.36
Rot. Bonds6

About 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine

1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine (PubChem CID 80533794) has the molecular formula C12H19Br2NS and a molecular weight of 369.17 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
PubChem CID80533794
Molecular FormulaC12H19Br2NS
Molecular Weight369.17 g/mol
Exact Mass366.96
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1cc(Br)c(Br)s1)C(C)CC
InChIInChI=1S/C12H19Br2NS/c1-4-6-15-11(8(3)5-2)10-7-9(13)12(14)16-10/h7-8,11,15H,4-6H2,1-3H3
InChIKeyRMCNDJNFKKSIJZ-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.17
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine 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-[1-(4,5-dibromothiophen-2-yl)-2-ethoxyethyl]propan-1-amine
CID 105007809
1-(4,5-dibromothiophen-2-yl)-N-propyloctan-1-amine
CID 80535572
1-(4,5-dibromothiophen-2-yl)-N-propylheptan-1-amine
CID 114752623
N-[(4,5-dibromothiophen-2-yl)-(4-ethylcyclohexyl)methyl]propan-1-amine
CID 104990742
N-[(4,5-dibromothiophen-2-yl)-(3,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 81155911
N-[(4,5-dibromothiophen-2-yl)-(4-iodophenyl)methyl]propan-1-amine
CID 80535599
N-[(4,5-dibromothiophen-2-yl)-(2-ethoxyphenyl)methyl]propan-1-amine
CID 80532533
N-[(4,5-dibromothiophen-2-yl)-(2,6-difluorophenyl)methyl]propan-1-amine
CID 80534014
N-[(4,5-dibromothiophen-2-yl)-(2-fluorophenyl)methyl]propan-1-amine
CID 80535409
1-(4,5-dibromothiophen-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 115793519
1-(4,5-dibromothiophen-2-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105023820
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155187

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine (CID 80533794) is 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine is CCCNC(c1cc(Br)c(Br)s1)C(C)CC.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
The InChIKey is RMCNDJNFKKSIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19Br2NS/c1-4-6-15-11(8(3)5-2)10-7-9(13)12(14)16-10/h7-8,11,15H,4-6H2,1-3H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine?
1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine has a molecular weight of 369.17 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 80533794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).