2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol

C11H15NO2S — CID 139401437

IUPAC2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol
SMILESC#Cc1ccc(CNCCOCCO)s1
InChIInChI=1S/C11H15NO2S/c1-2-10-3-4-11(15-10)9-12-5-7-14-8-6-13/h1,3-4,12-13H,5-9H2
InChIKeyMQBWZNHUDPKGDV-UHFFFAOYSA-N
MW225.31 g/mol
LogP0.83
Rot. Bonds7

About 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol

2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol (PubChem CID 139401437) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol
PubChem CID139401437
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol
SMILESC#Cc1ccc(CNCCOCCO)s1
InChIInChI=1S/C11H15NO2S/c1-2-10-3-4-11(15-10)9-12-5-7-14-8-6-13/h1,3-4,12-13H,5-9H2
InChIKeyMQBWZNHUDPKGDV-UHFFFAOYSA-N
XLogP0.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-ethoxyethylamino)methyl]thiophene-2-carbonitrile
CID 115675598
2-[3-[(5-methoxythiophen-2-yl)methylamino]propoxy]ethanol
CID 103992523
2-[2-[(5-ethynylthiophen-2-yl)-methylamino]ethoxy]ethanol
CID 175111573
2-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]ethoxy]ethanol
CID 102831297
4-[4-[5-[[2-(2-hydroxyethoxy)ethylamino]methyl]thiophen-2-yl]buta-1,3-diynyl]-N-[(2S,3S)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 139401371
3-[[2-(2-hydroxyethoxy)ethylamino]methyl]furan-2-carboxylic acid
CID 103248940
5-[(3-butoxypropylamino)methyl]thiophene-2-carbonitrile
CID 115675311
2-[2-(benzylamino)ethoxy]ethanol;hydrochloride
CID 17155122
2-[2-(furan-3-ylmethylamino)ethoxy]ethanol
CID 63032955
2-(2-chloroethoxy)-N-[(5-chlorothiophen-2-yl)methyl]ethanamine
CID 65023787
2-(3-methylbut-3-enoxy)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 114470947
2-[2-[(4-bromophenyl)methylamino]ethoxy]ethanol
CID 17155127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol (CID 139401437) is 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol is C#Cc1ccc(CNCCOCCO)s1.
What is the InChIKey of 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol?
The InChIKey is MQBWZNHUDPKGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-2-10-3-4-11(15-10)9-12-5-7-14-8-6-13/h1,3-4,12-13H,5-9H2.
What are the key properties of 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol?
2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol has a molecular weight of 225.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol is sourced from PubChem (CID 139401437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).