3-(oxetan-3-yloxy)-5-propoxyaniline

C12H17NO3 — CID 102605481

IUPAC3-(oxetan-3-yloxy)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(OC2COC2)c1
InChIInChI=1S/C12H17NO3/c1-2-3-15-10-4-9(13)5-11(6-10)16-12-7-14-8-12/h4-6,12H,2-3,7-8,13H2,1H3
InChIKeyGXDDGAIFHZBJBE-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.84
Rot. Bonds5

About 3-(oxetan-3-yloxy)-5-propoxyaniline

3-(oxetan-3-yloxy)-5-propoxyaniline (PubChem CID 102605481) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(oxetan-3-yloxy)-5-propoxyaniline.

Molecular Properties

Compound Name3-(oxetan-3-yloxy)-5-propoxyaniline
PubChem CID102605481
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(oxetan-3-yloxy)-5-propoxyaniline
SMILESCCCOc1cc(N)cc(OC2COC2)c1
InChIInChI=1S/C12H17NO3/c1-2-3-15-10-4-9(13)5-11(6-10)16-12-7-14-8-12/h4-6,12H,2-3,7-8,13H2,1H3
InChIKeyGXDDGAIFHZBJBE-UHFFFAOYSA-N
XLogP1.84
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(oxetan-3-yloxy)-5-propoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

3-(oxan-4-yloxy)-5-propoxyaniline
CID 80748850
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
3-(2-ethoxyethoxy)-5-propoxyaniline
CID 80748385
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
3-fluoro-5-propoxyaniline
CID 80752315
3-N-(3-methyloxolan-3-yl)-5-propoxybenzene-1,3-diamine
CID 113481924
1-(3-amino-5-propoxyphenyl)pyrrolidine-3,4-diol
CID 106667631
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-propoxyaniline
CID 102721621
3-propoxy-5-(thiophen-2-ylmethoxy)aniline
CID 80747853
3-(3,4-dimethylcyclohexyl)oxy-5-ethoxyaniline
CID 80748644

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yloxy)-5-propoxyaniline?
The IUPAC name of 3-(oxetan-3-yloxy)-5-propoxyaniline (CID 102605481) is 3-(oxetan-3-yloxy)-5-propoxyaniline.
What is the SMILES notation for 3-(oxetan-3-yloxy)-5-propoxyaniline?
The canonical SMILES for 3-(oxetan-3-yloxy)-5-propoxyaniline is CCCOc1cc(N)cc(OC2COC2)c1.
What is the InChIKey of 3-(oxetan-3-yloxy)-5-propoxyaniline?
The InChIKey is GXDDGAIFHZBJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-3-15-10-4-9(13)5-11(6-10)16-12-7-14-8-12/h4-6,12H,2-3,7-8,13H2,1H3.
What are the key properties of 3-(oxetan-3-yloxy)-5-propoxyaniline?
3-(oxetan-3-yloxy)-5-propoxyaniline has a molecular weight of 223.27 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yloxy)-5-propoxyaniline is sourced from PubChem (CID 102605481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).