4-(oxolan-2-ylmethoxy)aniline

C11H15NO2 — CID 6484165

IUPAC4-(oxolan-2-ylmethoxy)aniline
SMILESNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C11H15NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8,12H2
InChIKeyBDTTYRMUFWQXNJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.83
Rot. Bonds3

About 4-(oxolan-2-ylmethoxy)aniline

4-(oxolan-2-ylmethoxy)aniline (PubChem CID 6484165) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)aniline
PubChem CID6484165
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(oxolan-2-ylmethoxy)aniline
SMILESNc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C11H15NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8,12H2
InChIKeyBDTTYRMUFWQXNJ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of 4-(oxolan-2-ylmethoxy)aniline (CID 6484165) is 4-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)aniline is Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)aniline?
The InChIKey is BDTTYRMUFWQXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c12-9-3-5-10(6-4-9)14-8-11-2-1-7-13-11/h3-6,11H,1-2,7-8,12H2.
What are the key properties of 4-(oxolan-2-ylmethoxy)aniline?
4-(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 4-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 6484165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).