2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride

C10H18ClNO2S — CID 3076674

IUPAC2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1cccs1.Cl
InChIInChI=1S/C10H17NO2S.ClH/c1-11(2)5-6-13-8-9(12)10-4-3-7-14-10;/h3-4,7,9,12H,5-6,8H2,1-2H3;1H
InChIKeyRBKLMPPFFILDEQ-UHFFFAOYSA-N
MW251.78 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride

2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride (PubChem CID 3076674) has the molecular formula C10H18ClNO2S and a molecular weight of 251.78 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride
PubChem CID3076674
Molecular FormulaC10H18ClNO2S
Molecular Weight251.78 g/mol
Exact Mass251.07
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1cccs1.Cl
InChIInChI=1S/C10H17NO2S.ClH/c1-11(2)5-6-13-8-9(12)10-4-3-7-14-10;/h3-4,7,9,12H,5-6,8H2,1-2H3;1H
InChIKeyRBKLMPPFFILDEQ-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 51.78
H-Bond Donors ≤ 51
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 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride (CID 3076674) is 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride is CN(C)CCOCC(O)c1cccs1.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride?
The InChIKey is RBKLMPPFFILDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S.ClH/c1-11(2)5-6-13-8-9(12)10-4-3-7-14-10;/h3-4,7,9,12H,5-6,8H2,1-2H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride?
2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride has a molecular weight of 251.78 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol;hydrochloride is sourced from PubChem (CID 3076674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).