2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine

C13H16N2O3 — CID 65351501

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
SMILES[H]/N=C(/C1COc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C13H16N2O3/c14-13(15-5-7-16-8-6-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/b14-13-
InChIKeyHLRNKILJKXPTKP-YPKPFQOOSA-N
MW248.28 g/mol
LogP1.14
Rot. Bonds1

About 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine

2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine (PubChem CID 65351501) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
PubChem CID65351501
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine
SMILES[H]/N=C(/C1COc2ccccc2O1)N1CCOCC1
InChIInChI=1S/C13H16N2O3/c14-13(15-5-7-16-8-6-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/b14-13-
InChIKeyHLRNKILJKXPTKP-YPKPFQOOSA-N
XLogP1.14
TPSA54.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1-morpholin-4-ylethanone
CID 7332710
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
methyl 2,3-dihydro-1,4-benzodioxine-3-carboximidate
CID 65351667
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
morpholin-4-yl(oxan-4-yl)methanimine
CID 65334629
potassium 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 19205447
(2R)-4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]morpholine-2-carboxylic acid
CID 129366605
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 755163
2,3-dihydro-1,4-benzodioxin-3-yl(oxolan-3-yl)methanone
CID 65351166
(3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid
CID 159952677
cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methanone
CID 51150235
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-morpholin-4-yl-2-oxoacetamide
CID 2237644

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine (CID 65351501) is 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine is [H]/N=C(/C1COc2ccccc2O1)N1CCOCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine?
The InChIKey is HLRNKILJKXPTKP-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-13(15-5-7-16-8-6-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/b14-13-.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine?
2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine has a molecular weight of 248.28 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-3-yl(morpholin-4-yl)methanimine is sourced from PubChem (CID 65351501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).