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

C11H13NOS — CID 114910021

IUPAC1-(1-benzothiophen-2-yl)-N-methoxyethanamine
SMILESCONC(C)c1cc2ccccc2s1
InChIInChI=1S/C11H13NOS/c1-8(12-13-2)11-7-9-5-3-4-6-10(9)14-11/h3-8,12H,1-2H3
InChIKeyGHQOSUANHGUTPI-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.11
Rot. Bonds3

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

1-(1-benzothiophen-2-yl)-N-methoxyethanamine (PubChem CID 114910021) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(1-benzothiophen-2-yl)-N-methoxyethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-2-yl)-N-methoxyethanamine
PubChem CID114910021
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name1-(1-benzothiophen-2-yl)-N-methoxyethanamine
SMILESCONC(C)c1cc2ccccc2s1
InChIInChI=1S/C11H13NOS/c1-8(12-13-2)11-7-9-5-3-4-6-10(9)14-11/h3-8,12H,1-2H3
InChIKeyGHQOSUANHGUTPI-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzothiophen-2-yl)ethyl]-4-methoxyaniline
CID 114909636
1-(1-benzothiophen-2-yl)-N-(2-methoxyethyl)ethanamine
CID 114983148
(2S)-2-[[(1S)-1-(1-benzothiophen-2-yl)ethyl]amino]oxy-2-phenylacetic acid
CID 57126744
2-(dimethoxymethyl)-1-benzothiophene
CID 119086272
N-[1-(1-benzothiophen-2-yl)ethyl]-3-methoxypropan-1-amine
CID 114983145
N-[1-(1-benzothiophen-2-yl)ethyl]butan-2-amine
CID 115718240
N-[1-(1-benzothiophen-2-yl)ethyl]-2-fluoro-5-methoxyaniline
CID 114909985
N-[1-(1-benzothiophen-2-yl)ethyl]-1-cyclopropylethanamine
CID 113250231
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
3-[2-[1-(1-benzothiophen-2-yl)ethylamino]ethyl]-1,1-dimethylurea
CID 114910040
N-[1-(1-benzothiophen-2-yl)ethyl]prop-2-en-1-amine
CID 104579324

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-2-yl)-N-methoxyethanamine?
The IUPAC name of 1-(1-benzothiophen-2-yl)-N-methoxyethanamine (CID 114910021) is 1-(1-benzothiophen-2-yl)-N-methoxyethanamine.
What is the SMILES notation for 1-(1-benzothiophen-2-yl)-N-methoxyethanamine?
The canonical SMILES for 1-(1-benzothiophen-2-yl)-N-methoxyethanamine is CONC(C)c1cc2ccccc2s1.
What is the InChIKey of 1-(1-benzothiophen-2-yl)-N-methoxyethanamine?
The InChIKey is GHQOSUANHGUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8(12-13-2)11-7-9-5-3-4-6-10(9)14-11/h3-8,12H,1-2H3.
What are the key properties of 1-(1-benzothiophen-2-yl)-N-methoxyethanamine?
1-(1-benzothiophen-2-yl)-N-methoxyethanamine has a molecular weight of 207.30 g/mol, XLogP of 3.11, 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)-N-methoxyethanamine is sourced from PubChem (CID 114910021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).