4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline

C15H23NO3 — CID 83002627

IUPAC4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(OCC2CCOCC2)ccc1N
InChIInChI=1S/C15H23NO3/c1-11(2)19-15-9-13(3-4-14(15)16)18-10-12-5-7-17-8-6-12/h3-4,9,11-12H,5-8,10,16H2,1-2H3
InChIKeyXABMYNWCELHOGU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.86
Rot. Bonds5

About 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline

4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline (PubChem CID 83002627) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline.

Molecular Properties

Compound Name4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
PubChem CID83002627
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(OCC2CCOCC2)ccc1N
InChIInChI=1S/C15H23NO3/c1-11(2)19-15-9-13(3-4-14(15)16)18-10-12-5-7-17-8-6-12/h3-4,9,11-12H,5-8,10,16H2,1-2H3
InChIKeyXABMYNWCELHOGU-UHFFFAOYSA-N
XLogP2.86
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline?
The IUPAC name of 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline (CID 83002627) is 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline.
What is the SMILES notation for 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline?
The canonical SMILES for 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline is CC(C)Oc1cc(OCC2CCOCC2)ccc1N.
What is the InChIKey of 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline?
The InChIKey is XABMYNWCELHOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-15-9-13(3-4-14(15)16)18-10-12-5-7-17-8-6-12/h3-4,9,11-12H,5-8,10,16H2,1-2H3.
What are the key properties of 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline?
4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline has a molecular weight of 265.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethoxy)-2-propan-2-yloxyaniline is sourced from PubChem (CID 83002627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).