4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol

C11H19NO2S — CID 66001498

IUPAC4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol
SMILESCOCCNCCC(C)(O)c1cccs1
InChIInChI=1S/C11H19NO2S/c1-11(13,10-4-3-9-15-10)5-6-12-7-8-14-2/h3-4,9,12-13H,5-8H2,1-2H3
InChIKeyPZAAPRYZFKYPJT-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.58
Rot. Bonds7

About 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol

4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol (PubChem CID 66001498) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol
PubChem CID66001498
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol
SMILESCOCCNCCC(C)(O)c1cccs1
InChIInChI=1S/C11H19NO2S/c1-11(13,10-4-3-9-15-10)5-6-12-7-8-14-2/h3-4,9,12-13H,5-8H2,1-2H3
InChIKeyPZAAPRYZFKYPJT-UHFFFAOYSA-N
XLogP1.58
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol?
The IUPAC name of 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol (CID 66001498) is 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol?
The canonical SMILES for 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol is COCCNCCC(C)(O)c1cccs1.
What is the InChIKey of 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol?
The InChIKey is PZAAPRYZFKYPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-11(13,10-4-3-9-15-10)5-6-12-7-8-14-2/h3-4,9,12-13H,5-8H2,1-2H3.
What are the key properties of 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol?
4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol has a molecular weight of 229.34 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-2-thiophen-2-ylbutan-2-ol is sourced from PubChem (CID 66001498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).