4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline

C12H16N2O2 — CID 144697391

IUPAC4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(OC2(CC)COC2)ccc1N
InChIInChI=1S/C12H16N2O2/c1-2-12(7-15-8-12)16-10-3-4-11(14)9(5-10)6-13/h3-6,13H,2,7-8,14H2,1H3/b13-6+
InChIKeyMUAKCOALKMRTDY-AWNIVKPZSA-N
MW220.27 g/mol
LogP1.82
Rot. Bonds4

About 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline

4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline (PubChem CID 144697391) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline.

Molecular Properties

Compound Name4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline
PubChem CID144697391
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(OC2(CC)COC2)ccc1N
InChIInChI=1S/C12H16N2O2/c1-2-12(7-15-8-12)16-10-3-4-11(14)9(5-10)6-13/h3-6,13H,2,7-8,14H2,1H3/b13-6+
InChIKeyMUAKCOALKMRTDY-AWNIVKPZSA-N
XLogP1.82
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline?
The IUPAC name of 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline (CID 144697391) is 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline.
What is the SMILES notation for 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline?
The canonical SMILES for 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline is [H]/N=C/c1cc(OC2(CC)COC2)ccc1N.
What is the InChIKey of 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline?
The InChIKey is MUAKCOALKMRTDY-AWNIVKPZSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-12(7-15-8-12)16-10-3-4-11(14)9(5-10)6-13/h3-6,13H,2,7-8,14H2,1H3/b13-6+.
What are the key properties of 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline?
4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline has a molecular weight of 220.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyloxetan-3-yl)oxy-2-methanimidoylaniline is sourced from PubChem (CID 144697391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).