[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

C15H20N2O4 — CID 102938298

IUPAC[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESCC1CN(C(=O)c2cccc3c2OCCO3)CC(CN)O1
InChIInChI=1S/C15H20N2O4/c1-10-8-17(9-11(7-16)21-10)15(18)12-3-2-4-13-14(12)20-6-5-19-13/h2-4,10-11H,5-9,16H2,1H3
InChIKeyXNLFOOPWPUKMOZ-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.65
Rot. Bonds2

About [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (PubChem CID 102938298) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
PubChem CID102938298
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
SMILESCC1CN(C(=O)c2cccc3c2OCCO3)CC(CN)O1
InChIInChI=1S/C15H20N2O4/c1-10-8-17(9-11(7-16)21-10)15(18)12-3-2-4-13-14(12)20-6-5-19-13/h2-4,10-11H,5-9,16H2,1H3
InChIKeyXNLFOOPWPUKMOZ-UHFFFAOYSA-N
XLogP0.65
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 52537836
[(2R,3aS,6aS)-2-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 97369190
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 102938247
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102938279
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 80503914
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 102938360
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-naphthalen-1-ylmethanone
CID 102934601
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 102938283
N-[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-4-hydroxypyrrolidin-3-yl]methanesulfonamide
CID 110133091
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107727574

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone (CID 102938298) is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is CC1CN(C(=O)c2cccc3c2OCCO3)CC(CN)O1.
What is the InChIKey of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
The InChIKey is XNLFOOPWPUKMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-8-17(9-11(7-16)21-10)15(18)12-3-2-4-13-14(12)20-6-5-19-13/h2-4,10-11H,5-9,16H2,1H3.
What are the key properties of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone?
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone has a molecular weight of 292.33 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone is sourced from PubChem (CID 102938298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).