6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

C14H20N2O3 — CID 43544460

IUPAC6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC1CN(c2cc3c(cc2N)OCCO3)C(C)CO1
InChIInChI=1S/C14H20N2O3/c1-9-8-19-10(2)7-16(9)12-6-14-13(5-11(12)15)17-3-4-18-14/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyUXCLPXMCZVXPTE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.65
Rot. Bonds1

About 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine

6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 43544460) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID43544460
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCC1CN(c2cc3c(cc2N)OCCO3)C(C)CO1
InChIInChI=1S/C14H20N2O3/c1-9-8-19-10(2)7-16(9)12-6-14-13(5-11(12)15)17-3-4-18-14/h5-6,9-10H,3-4,7-8,15H2,1-2H3
InChIKeyUXCLPXMCZVXPTE-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
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-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine (CID 43544460) is 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is CC1CN(c2cc3c(cc2N)OCCO3)C(C)CO1.
What is the InChIKey of 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is UXCLPXMCZVXPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-8-19-10(2)7-16(9)12-6-14-13(5-11(12)15)17-3-4-18-14/h5-6,9-10H,3-4,7-8,15H2,1-2H3.
What are the key properties of 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine?
6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 264.32 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylmorpholin-4-yl)-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 43544460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).