1-ethoxy-3-(2-ethylanilino)propan-2-ol

C13H21NO2 — CID 63934398

IUPAC1-ethoxy-3-(2-ethylanilino)propan-2-ol
SMILESCCOCC(O)CNc1ccccc1CC
InChIInChI=1S/C13H21NO2/c1-3-11-7-5-6-8-13(11)14-9-12(15)10-16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3
InChIKeyUJNQKMSBHKGMFW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.06
Rot. Bonds7

About 1-ethoxy-3-(2-ethylanilino)propan-2-ol

1-ethoxy-3-(2-ethylanilino)propan-2-ol (PubChem CID 63934398) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-ethoxy-3-(2-ethylanilino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2-ethylanilino)propan-2-ol
PubChem CID63934398
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-ethoxy-3-(2-ethylanilino)propan-2-ol
SMILESCCOCC(O)CNc1ccccc1CC
InChIInChI=1S/C13H21NO2/c1-3-11-7-5-6-8-13(11)14-9-12(15)10-16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3
InChIKeyUJNQKMSBHKGMFW-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyethoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900499
1-(4-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60721029
1-(2-methoxyethoxy)-3-(2-propylanilino)propan-2-ol
CID 106989673
1-(3-bromophenoxy)-3-(2-ethylanilino)propan-2-ol
CID 60900116
1-butoxy-3-[2-(2-methoxyethyl)anilino]propan-2-ol
CID 107263153
1-butoxy-3-[2-[(3-butoxy-2-hydroxypropyl)amino]anilino]propan-2-ol
CID 155231393
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656
1-ethoxy-3-[(2-nitrophenyl)methylamino]propan-2-ol
CID 63934487
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875
1-(2-methylpropoxy)-3-[2-(trifluoromethyl)anilino]propan-2-ol
CID 60898806
1-ethoxy-3-[2-(2-fluorophenyl)ethylamino]propan-2-ol
CID 63932742
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2-ethylanilino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2-ethylanilino)propan-2-ol (CID 63934398) is 1-ethoxy-3-(2-ethylanilino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2-ethylanilino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2-ethylanilino)propan-2-ol is CCOCC(O)CNc1ccccc1CC.
What is the InChIKey of 1-ethoxy-3-(2-ethylanilino)propan-2-ol?
The InChIKey is UJNQKMSBHKGMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-11-7-5-6-8-13(11)14-9-12(15)10-16-4-2/h5-8,12,14-15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-ethoxy-3-(2-ethylanilino)propan-2-ol?
1-ethoxy-3-(2-ethylanilino)propan-2-ol has a molecular weight of 223.32 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2-ethylanilino)propan-2-ol is sourced from PubChem (CID 63934398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).