1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine

C11H19NOS — CID 43200659

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1cc(C)sc1C
InChIInChI=1S/C11H19NOS/c1-8-7-11(10(3)14-8)9(2)12-5-6-13-4/h7,9,12H,5-6H2,1-4H3
InChIKeyAUXPMLPUHOBNGL-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.66
Rot. Bonds5

About 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine (PubChem CID 43200659) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
PubChem CID43200659
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine
SMILESCOCCNC(C)c1cc(C)sc1C
InChIInChI=1S/C11H19NOS/c1-8-7-11(10(3)14-8)9(2)12-5-6-13-4/h7,9,12H,5-6H2,1-4H3
InChIKeyAUXPMLPUHOBNGL-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine (CID 43200659) is 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine is COCCNC(C)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine?
The InChIKey is AUXPMLPUHOBNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-8-7-11(10(3)14-8)9(2)12-5-6-13-4/h7,9,12H,5-6H2,1-4H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine has a molecular weight of 213.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 43200659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).