1-(1-benzothiophen-2-yl)-2-methoxyethanamine

C11H13NOS — CID 112693350

IUPAC1-(1-benzothiophen-2-yl)-2-methoxyethanamine
SMILESCOCC(N)c1cc2ccccc2s1
InChIInChI=1S/C11H13NOS/c1-13-7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9H,7,12H2,1H3
InChIKeyURDTVUKYOYAQPH-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.55
Rot. Bonds3

About 1-(1-benzothiophen-2-yl)-2-methoxyethanamine

1-(1-benzothiophen-2-yl)-2-methoxyethanamine (PubChem CID 112693350) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-2-methoxyethanamine
PubChem CID112693350
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(1-benzothiophen-2-yl)-2-methoxyethanamine
SMILESCOCC(N)c1cc2ccccc2s1
InChIInChI=1S/C11H13NOS/c1-13-7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9H,7,12H2,1H3
InChIKeyURDTVUKYOYAQPH-UHFFFAOYSA-N
XLogP2.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzothiophen-2-yl)-2-methoxyethanamine 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-(1-benzothiophen-2-yl)-2-methoxyethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-2-methoxyethanamine (CID 112693350) is 1-(1-benzothiophen-2-yl)-2-methoxyethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-2-methoxyethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-2-methoxyethanamine is COCC(N)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-2-methoxyethanamine?
The InChIKey is URDTVUKYOYAQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-13-7-9(12)11-6-8-4-2-3-5-10(8)14-11/h2-6,9H,7,12H2,1H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-2-methoxyethanamine?
1-(1-benzothiophen-2-yl)-2-methoxyethanamine has a molecular weight of 207.30 g/mol, XLogP of 2.55, 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-methoxyethanamine is sourced from PubChem (CID 112693350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).