1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine

C11H17BrClNS — CID 114874548

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNS/c1-4-7(2)5-9(14-3)10-6-8(13)11(12)15-10/h6-7,9,14H,4-5H2,1-3H3
InChIKeyOYAGZIBVPJGTLS-UHFFFAOYSA-N
MW310.69 g/mol
LogP4.86
Rot. Bonds5

About 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine

1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine (PubChem CID 114874548) has the molecular formula C11H17BrClNS and a molecular weight of 310.69 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
PubChem CID114874548
Molecular FormulaC11H17BrClNS
Molecular Weight310.69 g/mol
Exact Mass309.00
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CC(NC)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H17BrClNS/c1-4-7(2)5-9(14-3)10-6-8(13)11(12)15-10/h6-7,9,14H,4-5H2,1-3H3
InChIKeyOYAGZIBVPJGTLS-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-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-chlorothiophen-2-yl)-3-methylpentan-1-ol
CID 114875966
2-bromo-3-chloro-5-(1-chloropropyl)thiophene
CID 80533388
1-(5-bromo-4-chlorothiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 80530973
1-(4,5-dimethylthiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846218
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
CID 80531325
1-(5-bromo-4-methylthiophen-2-yl)-3-methyl-N-propylpentan-1-amine
CID 114874529
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3-chlorophenyl)-N-methylethanamine
CID 80531010
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,6-difluorophenyl)-N-methylethanamine
CID 80530733
2-(1-adamantyl)-1-(5-bromo-4-chlorothiophen-2-yl)-N-methylethanamine
CID 80530866
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
N,3-dimethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 114874222
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 80530913

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine (CID 114874548) is 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine is CCC(C)CC(NC)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine?
The InChIKey is OYAGZIBVPJGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrClNS/c1-4-7(2)5-9(14-3)10-6-8(13)11(12)15-10/h6-7,9,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine?
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine has a molecular weight of 310.69 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 114874548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).