5-iodo-2-(oxan-4-yloxy)aniline

C11H14INO2 — CID 58221541

IUPAC5-iodo-2-(oxan-4-yloxy)aniline
SMILESNc1cc(I)ccc1OC1CCOCC1
InChIInChI=1S/C11H14INO2/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9H,3-6,13H2
InChIKeyPOTJJFCWFMEZJG-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.43
Rot. Bonds2

About 5-iodo-2-(oxan-4-yloxy)aniline

5-iodo-2-(oxan-4-yloxy)aniline (PubChem CID 58221541) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is 5-iodo-2-(oxan-4-yloxy)aniline.

Molecular Properties

Compound Name5-iodo-2-(oxan-4-yloxy)aniline
PubChem CID58221541
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name5-iodo-2-(oxan-4-yloxy)aniline
SMILESNc1cc(I)ccc1OC1CCOCC1
InChIInChI=1S/C11H14INO2/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9H,3-6,13H2
InChIKeyPOTJJFCWFMEZJG-UHFFFAOYSA-N
XLogP2.43
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(oxan-4-yloxy)aniline?
The IUPAC name of 5-iodo-2-(oxan-4-yloxy)aniline (CID 58221541) is 5-iodo-2-(oxan-4-yloxy)aniline.
What is the SMILES notation for 5-iodo-2-(oxan-4-yloxy)aniline?
The canonical SMILES for 5-iodo-2-(oxan-4-yloxy)aniline is Nc1cc(I)ccc1OC1CCOCC1.
What is the InChIKey of 5-iodo-2-(oxan-4-yloxy)aniline?
The InChIKey is POTJJFCWFMEZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO2/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9H,3-6,13H2.
What are the key properties of 5-iodo-2-(oxan-4-yloxy)aniline?
5-iodo-2-(oxan-4-yloxy)aniline has a molecular weight of 319.14 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(oxan-4-yloxy)aniline is sourced from PubChem (CID 58221541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).