3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine

C11H12BrNS — CID 82625601

IUPAC3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
SMILESNCCCc1cc2cc(Br)ccc2s1
InChIInChI=1S/C11H12BrNS/c12-9-3-4-11-8(6-9)7-10(14-11)2-1-5-13/h3-4,6-7H,1-2,5,13H2
InChIKeyJGDPEYHWTXCTGS-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.56
Rot. Bonds3

About 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine

3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 82625601) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
PubChem CID82625601
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
SMILESNCCCc1cc2cc(Br)ccc2s1
InChIInChI=1S/C11H12BrNS/c12-9-3-4-11-8(6-9)7-10(14-11)2-1-5-13/h3-4,6-7H,1-2,5,13H2
InChIKeyJGDPEYHWTXCTGS-UHFFFAOYSA-N
XLogP3.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-1-benzothiophen-2-yl)propan-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

3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
5-bromo-2-(isocyanomethyl)-1-benzothiophene
CID 83488426
2-amino-3-(5-bromo-1-benzothiophen-2-yl)propanenitrile
CID 90441126
3-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 170868168
1-[(5-bromo-1-benzothiophen-2-yl)methyl]piperidine
CID 117176321
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
CID 117120043
2-[6-(bromomethyl)-1-benzothiophen-2-yl]ethanamine
CID 123200448
2-butyl-1-benzothiophene
CID 70061043
3-[7-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-amine
CID 117196527
5-bromo-1-benzothiophene-2-carboxamide
CID 119090366
2-(2-aminoethyl)-1-benzothiophen-6-ol
CID 82605292

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine (CID 82625601) is 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine is NCCCc1cc2cc(Br)ccc2s1.
What is the InChIKey of 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is JGDPEYHWTXCTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c12-9-3-4-11-8(6-9)7-10(14-11)2-1-5-13/h3-4,6-7H,1-2,5,13H2.
What are the key properties of 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine?
3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 270.19 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 82625601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).