1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine

C15H13BrN2S — CID 105036767

IUPAC1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1cc2ccccc2s1
InChIInChI=1S/C15H13BrN2S/c16-12-5-10(8-18-9-12)6-13(17)15-7-11-3-1-2-4-14(11)19-15/h1-5,7-9,13H,6,17H2
InChIKeyOFOVWZHHPMURDD-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.30
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine

1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine (PubChem CID 105036767) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
PubChem CID105036767
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine
SMILESNC(Cc1cncc(Br)c1)c1cc2ccccc2s1
InChIInChI=1S/C15H13BrN2S/c16-12-5-10(8-18-9-12)6-13(17)15-7-11-3-1-2-4-14(11)19-15/h1-5,7-9,13H,6,17H2
InChIKeyOFOVWZHHPMURDD-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine 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-(1-benzothiophen-2-yl)-2-(1,3-thiazol-5-yl)ethanamine
CID 105030509
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655446
1-(1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844225
1-(1-benzothiophen-2-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822474
2-(5-bromo-3-pyridinyl)-1-(2-chlorophenyl)ethanamine
CID 113454887
1-(1-benzothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447688
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
2-(5-bromo-3-pyridinyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128137
2-(5-bromo-3-pyridinyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanamine
CID 105036782
1-(1-benzothiophen-2-yl)-3-methylbutan-1-amine
CID 115782410
2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethanamine
CID 104801052
2-(5-bromo-3-pyridinyl)-1-(2,3-dimethylphenyl)ethanamine
CID 105036926

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine (CID 105036767) is 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine is NC(Cc1cncc(Br)c1)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine?
The InChIKey is OFOVWZHHPMURDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c16-12-5-10(8-18-9-12)6-13(17)15-7-11-3-1-2-4-14(11)19-15/h1-5,7-9,13H,6,17H2.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine?
1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine has a molecular weight of 333.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-2-yl)-2-(5-bromo-3-pyridinyl)ethanamine is sourced from PubChem (CID 105036767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).