4-(3-ethylanilino)oxolan-3-ol

C12H17NO2 — CID 60902246

IUPAC4-(3-ethylanilino)oxolan-3-ol
SMILESCCc1cccc(NC2COCC2O)c1
InChIInChI=1S/C12H17NO2/c1-2-9-4-3-5-10(6-9)13-11-7-15-8-12(11)14/h3-6,11-14H,2,7-8H2,1H3
InChIKeyMAZQJMREWWPPNC-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.42
Rot. Bonds3

About 4-(3-ethylanilino)oxolan-3-ol

4-(3-ethylanilino)oxolan-3-ol (PubChem CID 60902246) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-(3-ethylanilino)oxolan-3-ol.

Molecular Properties

Compound Name4-(3-ethylanilino)oxolan-3-ol
PubChem CID60902246
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-(3-ethylanilino)oxolan-3-ol
SMILESCCc1cccc(NC2COCC2O)c1
InChIInChI=1S/C12H17NO2/c1-2-9-4-3-5-10(6-9)13-11-7-15-8-12(11)14/h3-6,11-14H,2,7-8H2,1H3
InChIKeyMAZQJMREWWPPNC-UHFFFAOYSA-N
XLogP1.42
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoroanilino)oxolan-3-ol
CID 60896820
3-ethyl-N-(2-methylcyclobutyl)aniline
CID 126973402
(3S,4R)-4-anilinooxolan-3-ol
CID 93383619
4-[3-(trifluoromethoxy)anilino]oxolan-3-ol
CID 60899392
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-(3-ethylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 79898400
N-(3-ethylphenyl)-2-methylthiolan-3-amine
CID 102671024
N-cyclohexyl-3-ethylaniline
CID 11009024
4-[(3-ethylphenyl)carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 66266098
4-(3,5-difluoroanilino)oxolan-3-ol
CID 60902051
4-[[3-(hydroxymethyl)phenyl]methylamino]oxolan-3-ol
CID 107230514
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylanilino)oxolan-3-ol?
The IUPAC name of 4-(3-ethylanilino)oxolan-3-ol (CID 60902246) is 4-(3-ethylanilino)oxolan-3-ol.
What is the SMILES notation for 4-(3-ethylanilino)oxolan-3-ol?
The canonical SMILES for 4-(3-ethylanilino)oxolan-3-ol is CCc1cccc(NC2COCC2O)c1.
What is the InChIKey of 4-(3-ethylanilino)oxolan-3-ol?
The InChIKey is MAZQJMREWWPPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-2-9-4-3-5-10(6-9)13-11-7-15-8-12(11)14/h3-6,11-14H,2,7-8H2,1H3.
What are the key properties of 4-(3-ethylanilino)oxolan-3-ol?
4-(3-ethylanilino)oxolan-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylanilino)oxolan-3-ol is sourced from PubChem (CID 60902246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).