1-(4-bromothiophen-2-yl)butan-2-amine

C8H12BrNS — CID 43565978

IUPAC1-(4-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc(Br)cs1
InChIInChI=1S/C8H12BrNS/c1-2-7(10)4-8-3-6(9)5-11-8/h3,5,7H,2,4,10H2,1H3
InChIKeyQNVLQOHOKZMUDQ-UHFFFAOYSA-N
MW234.16 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)butan-2-amine

1-(4-bromothiophen-2-yl)butan-2-amine (PubChem CID 43565978) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)butan-2-amine
PubChem CID43565978
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name1-(4-bromothiophen-2-yl)butan-2-amine
SMILESCCC(N)Cc1cc(Br)cs1
InChIInChI=1S/C8H12BrNS/c1-2-7(10)4-8-3-6(9)5-11-8/h3,5,7H,2,4,10H2,1H3
InChIKeyQNVLQOHOKZMUDQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromothiophen-2-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)butan-2-amine (CID 43565978) is 1-(4-bromothiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)butan-2-amine is CCC(N)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)butan-2-amine?
The InChIKey is QNVLQOHOKZMUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-2-7(10)4-8-3-6(9)5-11-8/h3,5,7H,2,4,10H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)butan-2-amine?
1-(4-bromothiophen-2-yl)butan-2-amine has a molecular weight of 234.16 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)butan-2-amine is sourced from PubChem (CID 43565978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).