2-ethoxy-4-(oxetan-3-yloxy)aniline

C11H15NO3 — CID 102605509

IUPAC2-ethoxy-4-(oxetan-3-yloxy)aniline
SMILESCCOc1cc(OC2COC2)ccc1N
InChIInChI=1S/C11H15NO3/c1-2-14-11-5-8(3-4-10(11)12)15-9-6-13-7-9/h3-5,9H,2,6-7,12H2,1H3
InChIKeyJTQJRXXOIMHWPS-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.45
Rot. Bonds4

About 2-ethoxy-4-(oxetan-3-yloxy)aniline

2-ethoxy-4-(oxetan-3-yloxy)aniline (PubChem CID 102605509) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-ethoxy-4-(oxetan-3-yloxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(oxetan-3-yloxy)aniline
PubChem CID102605509
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-ethoxy-4-(oxetan-3-yloxy)aniline
SMILESCCOc1cc(OC2COC2)ccc1N
InChIInChI=1S/C11H15NO3/c1-2-14-11-5-8(3-4-10(11)12)15-9-6-13-7-9/h3-5,9H,2,6-7,12H2,1H3
InChIKeyJTQJRXXOIMHWPS-UHFFFAOYSA-N
XLogP1.45
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(oxetan-3-yloxy)aniline?
The IUPAC name of 2-ethoxy-4-(oxetan-3-yloxy)aniline (CID 102605509) is 2-ethoxy-4-(oxetan-3-yloxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(oxetan-3-yloxy)aniline?
The canonical SMILES for 2-ethoxy-4-(oxetan-3-yloxy)aniline is CCOc1cc(OC2COC2)ccc1N.
What is the InChIKey of 2-ethoxy-4-(oxetan-3-yloxy)aniline?
The InChIKey is JTQJRXXOIMHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-14-11-5-8(3-4-10(11)12)15-9-6-13-7-9/h3-5,9H,2,6-7,12H2,1H3.
What are the key properties of 2-ethoxy-4-(oxetan-3-yloxy)aniline?
2-ethoxy-4-(oxetan-3-yloxy)aniline has a molecular weight of 209.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(oxetan-3-yloxy)aniline is sourced from PubChem (CID 102605509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).