2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol

C13H23NO2S — CID 111439573

IUPAC2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol
SMILESCC(C)(C)C(NCCOCCO)c1cccs1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)12(11-5-4-10-17-11)14-6-8-16-9-7-15/h4-5,10,12,14-15H,6-9H2,1-3H3
InChIKeyGRYNGKAGKPGEDH-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.43
Rot. Bonds7

About 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol

2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol (PubChem CID 111439573) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol
PubChem CID111439573
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC Name2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol
SMILESCC(C)(C)C(NCCOCCO)c1cccs1
InChIInChI=1S/C13H23NO2S/c1-13(2,3)12(11-5-4-10-17-11)14-6-8-16-9-7-15/h4-5,10,12,14-15H,6-9H2,1-3H3
InChIKeyGRYNGKAGKPGEDH-UHFFFAOYSA-N
XLogP2.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[(1S)-1-thiophen-2-ylethyl]amino]ethoxy]ethanol
CID 28727459
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
methyl 3-[[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]acetyl]amino]-4-methylbenzoate
CID 55995427
(1S)-N-[2-(2-methylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 106452323
(1S)-N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1-thiophen-2-ylethanamine
CID 104562673
2-(1-thiophen-2-ylethylamino)ethanol
CID 43151185
N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
CID 51965760
2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]-N-methyl-N-phenylacetamide
CID 60524516
N-(dithiophen-2-ylmethyl)-2-methoxyethanamine
CID 43756292
N-[2-(3-phenylpropoxy)ethyl]-1-thiophen-2-ylethanamine
CID 62584246
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 116726916
2,2-dimethyl-3-[(2-methyl-1-thiophen-2-ylpropyl)amino]propan-1-ol
CID 81411730

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol (CID 111439573) is 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol is CC(C)(C)C(NCCOCCO)c1cccs1.
What is the InChIKey of 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol?
The InChIKey is GRYNGKAGKPGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-13(2,3)12(11-5-4-10-17-11)14-6-8-16-9-7-15/h4-5,10,12,14-15H,6-9H2,1-3H3.
What are the key properties of 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol?
2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol has a molecular weight of 257.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,2-dimethyl-1-thiophen-2-ylpropyl)amino]ethoxy]ethanol is sourced from PubChem (CID 111439573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).