ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride

C14H20ClNOS — CID 23788

IUPACethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride
SMILESCC[NH+](CCO)Cc1csc2ccc(C)cc12.[Cl-]
InChIInChI=1S/C14H19NOS.ClH/c1-3-15(6-7-16)9-12-10-17-14-5-4-11(2)8-13(12)14;/h4-5,8,10,16H,3,6-7,9H2,1-2H3;1H
InChIKeyZCWUBSFPAQOZSE-UHFFFAOYSA-N
MW285.84 g/mol
LogP-1.39
Rot. Bonds5

About ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride

ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride (PubChem CID 23788) has the molecular formula C14H20ClNOS and a molecular weight of 285.84 g/mol. Its IUPAC name is ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride.

Molecular Properties

Compound Nameethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride
PubChem CID23788
Molecular FormulaC14H20ClNOS
Molecular Weight285.84 g/mol
Exact Mass285.10
IUPAC Nameethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride
SMILESCC[NH+](CCO)Cc1csc2ccc(C)cc12.[Cl-]
InChIInChI=1S/C14H19NOS.ClH/c1-3-15(6-7-16)9-12-10-17-14-5-4-11(2)8-13(12)14;/h4-5,8,10,16H,3,6-7,9H2,1-2H3;1H
InChIKeyZCWUBSFPAQOZSE-UHFFFAOYSA-N
XLogP-1.39
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.84
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

S22153
CID 9816339
Ethanol, 2-(N-((benzo(b)thien-3-yl)methyl)-N-ethylamino)-, hydrochloride
CID 202059
2-[(1-Benzothien-3-ylmethyl)(2-hydroxyethyl)amino]ethanol
CID 15945608
Pinacol 5-{[bis(2-hydroxyethyl)amino]methyl}benzo[b]thiophen-2-ylboronate
CID 23655488
3-(1-Benzothiophen-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 2738523
CID 15945014
CID 15945014
2-[Ethyl-[(6-methyl-1-benzothiophen-3-yl)methyl]amino]ethanol;hydrochloride
CID 15945609
1-[(5-Methyl-1-benzothien-3-yl)methyl]pyrrolidine
CID 23723146
N-methyl-2-(5-methyl-1-benzothien-3-yl)ethanamine
CID 31579
Benzo(b)thiophene-3-ethanamine, N,5-dimethyl-, hydrochloride (1:1)
CID 31578
Ethanol, 2-(ethyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride
CID 204558
Ethanol, 2-(((5-fluorobenzo(b)thien-3-yl)methyl)isopropylamino)-, hydrochloride
CID 205148

Frequently Asked Questions

What is the IUPAC name of ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride?
The IUPAC name of ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride (CID 23788) is ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride.
What is the SMILES notation for ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride?
The canonical SMILES for ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride is CC[NH+](CCO)Cc1csc2ccc(C)cc12.[Cl-].
What is the InChIKey of ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride?
The InChIKey is ZCWUBSFPAQOZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS.ClH/c1-3-15(6-7-16)9-12-10-17-14-5-4-11(2)8-13(12)14;/h4-5,8,10,16H,3,6-7,9H2,1-2H3;1H.
What are the key properties of ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride?
ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride has a molecular weight of 285.84 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(2-hydroxyethyl)-[(5-methyl-1-benzothiophen-3-yl)methyl]azanium chloride is sourced from PubChem (CID 23788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).