2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride

C15H22ClNO2S — CID 3076664

IUPAC2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride
SMILESCc1ccc2sc(C(O)COCCN(C)C)cc2c1.Cl
InChIInChI=1S/C15H21NO2S.ClH/c1-11-4-5-14-12(8-11)9-15(19-14)13(17)10-18-7-6-16(2)3;/h4-5,8-9,13,17H,6-7,10H2,1-3H3;1H
InChIKeyJYOUZRMJJNQBRU-UHFFFAOYSA-N
MW315.87 g/mol
LogP3.24
Rot. Bonds6

About 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride

2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride (PubChem CID 3076664) has the molecular formula C15H22ClNO2S and a molecular weight of 315.87 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride
PubChem CID3076664
Molecular FormulaC15H22ClNO2S
Molecular Weight315.87 g/mol
Exact Mass315.11
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride
SMILESCc1ccc2sc(C(O)COCCN(C)C)cc2c1.Cl
InChIInChI=1S/C15H21NO2S.ClH/c1-11-4-5-14-12(8-11)9-15(19-14)13(17)10-18-7-6-16(2)3;/h4-5,8-9,13,17H,6-7,10H2,1-3H3;1H
InChIKeyJYOUZRMJJNQBRU-UHFFFAOYSA-N
XLogP3.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.87
LogP ≤ 53.24
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-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride (CID 3076664) is 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride is Cc1ccc2sc(C(O)COCCN(C)C)cc2c1.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride?
The InChIKey is JYOUZRMJJNQBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S.ClH/c1-11-4-5-14-12(8-11)9-15(19-14)13(17)10-18-7-6-16(2)3;/h4-5,8-9,13,17H,6-7,10H2,1-3H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride?
2-[2-(dimethylamino)ethoxy]-1-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride has a molecular weight of 315.87 g/mol, XLogP of 3.24, 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-(5-methyl-1-benzothiophen-2-yl)ethanol;hydrochloride is sourced from PubChem (CID 3076664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).