6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

C14H20N2O3 — CID 43592539

IUPAC6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC1(C)CN(c2cc3c(cc2N)OCCO3)CCO1
InChIInChI=1S/C14H20N2O3/c1-14(2)9-16(3-4-19-14)11-8-13-12(7-10(11)15)17-5-6-18-13/h7-8H,3-6,9,15H2,1-2H3
InChIKeyCPSRNIHEOJKERO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.66
Rot. Bonds1

About 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43592539) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43592539
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC1(C)CN(c2cc3c(cc2N)OCCO3)CCO1
InChIInChI=1S/C14H20N2O3/c1-14(2)9-16(3-4-19-14)11-8-13-12(7-10(11)15)17-5-6-18-13/h7-8H,3-6,9,15H2,1-2H3
InChIKeyCPSRNIHEOJKERO-UHFFFAOYSA-N
XLogP1.66
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43592539) is 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is CC1(C)CN(c2cc3c(cc2N)OCCO3)CCO1.
What is the InChIKey of 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is CPSRNIHEOJKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2)9-16(3-4-19-14)11-8-13-12(7-10(11)15)17-5-6-18-13/h7-8H,3-6,9,15H2,1-2H3.
What are the key properties of 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 264.32 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43592539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).