4-[1-(oxetan-3-yloxy)ethyl]aniline

C11H15NO2 — CID 102605660

IUPAC4-[1-(oxetan-3-yloxy)ethyl]aniline
SMILESCC(OC1COC1)c1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-8(14-11-6-13-7-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7,12H2,1H3
InChIKeyRKMNPUQDRZFSAU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.75
Rot. Bonds3

About 4-[1-(oxetan-3-yloxy)ethyl]aniline

4-[1-(oxetan-3-yloxy)ethyl]aniline (PubChem CID 102605660) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[1-(oxetan-3-yloxy)ethyl]aniline.

Molecular Properties

Compound Name4-[1-(oxetan-3-yloxy)ethyl]aniline
PubChem CID102605660
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-[1-(oxetan-3-yloxy)ethyl]aniline
SMILESCC(OC1COC1)c1ccc(N)cc1
InChIInChI=1S/C11H15NO2/c1-8(14-11-6-13-7-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7,12H2,1H3
InChIKeyRKMNPUQDRZFSAU-UHFFFAOYSA-N
XLogP1.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxetan-3-yloxy)ethyl]aniline?
The IUPAC name of 4-[1-(oxetan-3-yloxy)ethyl]aniline (CID 102605660) is 4-[1-(oxetan-3-yloxy)ethyl]aniline.
What is the SMILES notation for 4-[1-(oxetan-3-yloxy)ethyl]aniline?
The canonical SMILES for 4-[1-(oxetan-3-yloxy)ethyl]aniline is CC(OC1COC1)c1ccc(N)cc1.
What is the InChIKey of 4-[1-(oxetan-3-yloxy)ethyl]aniline?
The InChIKey is RKMNPUQDRZFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(14-11-6-13-7-11)9-2-4-10(12)5-3-9/h2-5,8,11H,6-7,12H2,1H3.
What are the key properties of 4-[1-(oxetan-3-yloxy)ethyl]aniline?
4-[1-(oxetan-3-yloxy)ethyl]aniline has a molecular weight of 193.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxetan-3-yloxy)ethyl]aniline is sourced from PubChem (CID 102605660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).