2-(1-benzothiophen-3-ylmethylamino)ethanol

C11H13NOS — CID 60705162

IUPAC2-(1-benzothiophen-3-ylmethylamino)ethanol
SMILESOCCNCc1csc2ccccc12
InChIInChI=1S/C11H13NOS/c13-6-5-12-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,8,12-13H,5-7H2
InChIKeyINQXMWJIEBTDHI-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.98
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethylamino)ethanol

2-(1-benzothiophen-3-ylmethylamino)ethanol (PubChem CID 60705162) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethylamino)ethanol
PubChem CID60705162
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(1-benzothiophen-3-ylmethylamino)ethanol
SMILESOCCNCc1csc2ccccc12
InChIInChI=1S/C11H13NOS/c13-6-5-12-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,8,12-13H,5-7H2
InChIKeyINQXMWJIEBTDHI-UHFFFAOYSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
2-(1-benzothiophen-3-ylmethylamino)acetic acid
CID 62699978
N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 60704446
[1-[(1-benzothiophen-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 79479191
2-(1-benzothiophen-3-ylmethylamino)acetonitrile
CID 115131048
N-(1-benzothiophen-3-ylmethyl)propan-2-amine
CID 14994410
N-(1-benzothiophen-3-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60704292
N-(1-benzothiophen-3-ylmethyl)-1-cyclohexylmethanamine
CID 55198456
3-[(1-benzothiophen-3-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214140
N-(1-benzothiophen-3-ylmethyl)-1-(thian-4-yl)methanamine
CID 113235576
N-(1-benzothiophen-3-ylmethyl)-3-butoxypropan-1-amine
CID 115575834

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethylamino)ethanol?
The IUPAC name of 2-(1-benzothiophen-3-ylmethylamino)ethanol (CID 60705162) is 2-(1-benzothiophen-3-ylmethylamino)ethanol.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethylamino)ethanol?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethylamino)ethanol is OCCNCc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethylamino)ethanol?
The InChIKey is INQXMWJIEBTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c13-6-5-12-7-9-8-14-11-4-2-1-3-10(9)11/h1-4,8,12-13H,5-7H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethylamino)ethanol?
2-(1-benzothiophen-3-ylmethylamino)ethanol has a molecular weight of 207.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethylamino)ethanol is sourced from PubChem (CID 60705162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).