1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine

C12H20BrNS — CID 79991988

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc(C)c(Br)s1
InChIInChI=1S/C12H20BrNS/c1-4-6-10(14-7-5-2)11-8-9(3)12(13)15-11/h8,10,14H,4-7H2,1-3H3
InChIKeyMKKILWZHRSMHCE-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.66
Rot. Bonds6

About 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine

1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine (PubChem CID 79991988) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
PubChem CID79991988
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC)c1cc(C)c(Br)s1
InChIInChI=1S/C12H20BrNS/c1-4-6-10(14-7-5-2)11-8-9(3)12(13)15-11/h8,10,14H,4-7H2,1-3H3
InChIKeyMKKILWZHRSMHCE-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-methylthiophen-2-yl)-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

1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
1-(5-bromo-4-methylthiophen-2-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 103207729
1-(5-bromo-4-methylthiophen-2-yl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 115860725
N-[(5-bromo-4-methylthiophen-2-yl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 104990355
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105050942
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethyl]propan-1-amine
CID 105036582
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 105030306
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556428
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2-chloro-4-methylphenyl)ethyl]propan-1-amine
CID 106867945
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 115809466
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103053247
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115849742

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine (CID 79991988) is 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine is CCCNC(CCC)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine?
The InChIKey is MKKILWZHRSMHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-4-6-10(14-7-5-2)11-8-9(3)12(13)15-11/h8,10,14H,4-7H2,1-3H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine?
1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 79991988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).