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

C14H20N2O3 — CID 82732530

IUPAC8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCN(Cc1cc(N)cc2c1OCOC2)C1CCOC1
InChIInChI=1S/C14H20N2O3/c1-16(13-2-3-17-8-13)6-10-4-12(15)5-11-7-18-9-19-14(10)11/h4-5,13H,2-3,6-9,15H2,1H3
InChIKeySQQGFKWUPWCNSZ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.36
Rot. Bonds3

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

8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine (PubChem CID 82732530) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine.

Molecular Properties

Compound Name8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
PubChem CID82732530
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine
SMILESCN(Cc1cc(N)cc2c1OCOC2)C1CCOC1
InChIInChI=1S/C14H20N2O3/c1-16(13-2-3-17-8-13)6-10-4-12(15)5-11-7-18-9-19-14(10)11/h4-5,13H,2-3,6-9,15H2,1H3
InChIKeySQQGFKWUPWCNSZ-UHFFFAOYSA-N
XLogP1.36
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The IUPAC name of 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine (CID 82732530) is 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine.
What is the SMILES notation for 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The canonical SMILES for 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine is CN(Cc1cc(N)cc2c1OCOC2)C1CCOC1.
What is the InChIKey of 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
The InChIKey is SQQGFKWUPWCNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(13-2-3-17-8-13)6-10-4-12(15)5-11-7-18-9-19-14(10)11/h4-5,13H,2-3,6-9,15H2,1H3.
What are the key properties of 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine?
8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine has a molecular weight of 264.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[methyl(oxolan-3-yl)amino]methyl]-4H-1,3-benzodioxin-6-amine is sourced from PubChem (CID 82732530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).