8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine

C11H16N2O3 — CID 43627572

IUPAC8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCON(C)Cc1cc(N)cc2c1OCOC2
InChIInChI=1S/C11H16N2O3/c1-13(14-2)5-8-3-10(12)4-9-6-15-7-16-11(8)9/h3-4H,5-7,12H2,1-2H3
InChIKeyRQGLCBKTEDOGOU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.13
Rot. Bonds3

About 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine

8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine (PubChem CID 43627572) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine.

Molecular Properties

Compound Name8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
PubChem CID43627572
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCON(C)Cc1cc(N)cc2c1OCOC2
InChIInChI=1S/C11H16N2O3/c1-13(14-2)5-8-3-10(12)4-9-6-15-7-16-11(8)9/h3-4H,5-7,12H2,1-2H3
InChIKeyRQGLCBKTEDOGOU-UHFFFAOYSA-N
XLogP1.13
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The IUPAC name of 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine (CID 43627572) is 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine.
What is the SMILES notation for 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The canonical SMILES for 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine is CON(C)Cc1cc(N)cc2c1OCOC2.
What is the InChIKey of 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The InChIKey is RQGLCBKTEDOGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-13(14-2)5-8-3-10(12)4-9-6-15-7-16-11(8)9/h3-4H,5-7,12H2,1-2H3.
What are the key properties of 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine has a molecular weight of 224.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methoxy(methyl)amino]methyl]-4H-1,3-benzodioxin-6-amine is sourced from PubChem (CID 43627572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).