2-(oxolan-2-ylmethoxy)aniline

C11H15NO2 — CID 4913145

IUPAC2-(oxolan-2-ylmethoxy)aniline
SMILESNc1ccccc1OCC1CCCO1
InChIInChI=1S/C11H15NO2/c12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9/h1-2,5-6,9H,3-4,7-8,12H2
InChIKeyKTCZQGIGKHJVGO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds3

About 2-(oxolan-2-ylmethoxy)aniline

2-(oxolan-2-ylmethoxy)aniline (PubChem CID 4913145) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name2-(oxolan-2-ylmethoxy)aniline
PubChem CID4913145
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(oxolan-2-ylmethoxy)aniline
SMILESNc1ccccc1OCC1CCCO1
InChIInChI=1S/C11H15NO2/c12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9/h1-2,5-6,9H,3-4,7-8,12H2
InChIKeyKTCZQGIGKHJVGO-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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-2-ylmethoxy)aniline?
The IUPAC name of 2-(oxolan-2-ylmethoxy)aniline (CID 4913145) is 2-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for 2-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for 2-(oxolan-2-ylmethoxy)aniline is Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(oxolan-2-ylmethoxy)aniline?
The InChIKey is KTCZQGIGKHJVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9/h1-2,5-6,9H,3-4,7-8,12H2.
What are the key properties of 2-(oxolan-2-ylmethoxy)aniline?
2-(oxolan-2-ylmethoxy)aniline has a molecular weight of 193.25 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 4913145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).