2-(oxolan-3-yloxy)aniline

C10H13NO2 — CID 63557608

IUPAC2-(oxolan-3-yloxy)aniline
SMILESNc1ccccc1OC1CCOC1
InChIInChI=1S/C10H13NO2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8H,5-7,11H2
InChIKeyXJVZNNDBFBWNFM-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.44
Rot. Bonds2

About 2-(oxolan-3-yloxy)aniline

2-(oxolan-3-yloxy)aniline (PubChem CID 63557608) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(oxolan-3-yloxy)aniline.

Molecular Properties

Compound Name2-(oxolan-3-yloxy)aniline
PubChem CID63557608
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(oxolan-3-yloxy)aniline
SMILESNc1ccccc1OC1CCOC1
InChIInChI=1S/C10H13NO2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8H,5-7,11H2
InChIKeyXJVZNNDBFBWNFM-UHFFFAOYSA-N
XLogP1.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.44
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 2-(oxolan-3-yloxy)aniline?
The IUPAC name of 2-(oxolan-3-yloxy)aniline (CID 63557608) is 2-(oxolan-3-yloxy)aniline.
What is the SMILES notation for 2-(oxolan-3-yloxy)aniline?
The canonical SMILES for 2-(oxolan-3-yloxy)aniline is Nc1ccccc1OC1CCOC1.
What is the InChIKey of 2-(oxolan-3-yloxy)aniline?
The InChIKey is XJVZNNDBFBWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8H,5-7,11H2.
What are the key properties of 2-(oxolan-3-yloxy)aniline?
2-(oxolan-3-yloxy)aniline has a molecular weight of 179.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-3-yloxy)aniline is sourced from PubChem (CID 63557608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).