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

C11H15NO2S — CID 175111573

IUPAC2-[2-[(5-ethynylthiophen-2-yl)-methylamino]ethoxy]ethanol
SMILESC#Cc1ccc(N(C)CCOCCO)s1
InChIInChI=1S/C11H15NO2S/c1-3-10-4-5-11(15-10)12(2)6-8-14-9-7-13/h1,4-5,13H,6-9H2,2H3
InChIKeyKILKEMNKGJCGRI-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.17
Rot. Bonds6

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

2-[2-[(5-ethynylthiophen-2-yl)-methylamino]ethoxy]ethanol (PubChem CID 175111573) 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 CID175111573
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name2-[2-[(5-ethynylthiophen-2-yl)-methylamino]ethoxy]ethanol
SMILESC#Cc1ccc(N(C)CCOCCO)s1
InChIInChI=1S/C11H15NO2S/c1-3-10-4-5-11(15-10)12(2)6-8-14-9-7-13/h1,4-5,13H,6-9H2,2H3
InChIKeyKILKEMNKGJCGRI-UHFFFAOYSA-N
XLogP1.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
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

2-[2-[(5-ethynylthiophen-2-yl)methylamino]ethoxy]ethanol
CID 139401437
2-[2-(N-methyl-4-prop-2-ynoxyanilino)ethoxy]ethanol
CID 111439695
2-[2-[2-[2-[2-(N-methylanilino)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 101064678
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-[2-[4-(ethylaminomethyl)-N-methylanilino]ethoxy]ethanol
CID 114243255
2-[2-[methyl(pyrazolo[1,5-a]pyrimidin-5-yl)amino]ethoxy]ethanol
CID 114243521
4-[[4-[2-(2-hydroxyethoxy)ethyl-methylamino]phenyl]diazenyl]benzonitrile
CID 101392937
2-[2-[4-(aminomethyl)-N,3-dimethylanilino]ethoxy]ethanol
CID 114242987
2-[2-[2-[2-[4-[(4-methoxyphenyl)diazenyl]-N-methylanilino]ethoxy]ethoxy]ethoxy]ethanol
CID 122208894
2-[2-[2-[amino(methyl)amino]ethoxy]ethoxy]ethanol
CID 87109457
N,N-bis[2-(2-hydroxyethoxy)ethyl]propanamide
CID 91261493

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 175111573) 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(N(C)CCOCCO)s1.
What is the InChIKey of 2-[2-[(5-ethynylthiophen-2-yl)-methylamino]ethoxy]ethanol?
The InChIKey is KILKEMNKGJCGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-10-4-5-11(15-10)12(2)6-8-14-9-7-13/h1,4-5,13H,6-9H2,2H3.
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 1.17, 6 rotatable bonds, 1 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 175111573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).