1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine

C14H20N2O2 — CID 117017052

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine
SMILESCC1(C)C(N)CCN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-14(2)13(15)5-6-16(14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,13H,5-8,15H2,1-2H3
InChIKeyAFKSVNLGDFWREU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine (PubChem CID 117017052) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine
PubChem CID117017052
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine
SMILESCC1(C)C(N)CCN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H20N2O2/c1-14(2)13(15)5-6-16(14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,13H,5-8,15H2,1-2H3
InChIKeyAFKSVNLGDFWREU-UHFFFAOYSA-N
XLogP1.77
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine (CID 117017052) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine is CC1(C)C(N)CCN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine?
The InChIKey is AFKSVNLGDFWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)13(15)5-6-16(14)10-3-4-11-12(9-10)18-8-7-17-11/h3-4,9,13H,5-8,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine has a molecular weight of 248.33 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 117017052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).