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

C15H20N2O3 — CID 102938360

IUPAC[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
SMILESCC1CN(C(=O)C2COc3ccccc32)CC(CN)O1
InChIInChI=1S/C15H20N2O3/c1-10-7-17(8-11(6-16)20-10)15(18)13-9-19-14-5-3-2-4-12(13)14/h2-5,10-11,13H,6-9,16H2,1H3
InChIKeyQODURBQVTLABRZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.74
Rot. Bonds2

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

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone (PubChem CID 102938360) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
PubChem CID102938360
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone
SMILESCC1CN(C(=O)C2COc3ccccc32)CC(CN)O1
InChIInChI=1S/C15H20N2O3/c1-10-7-17(8-11(6-16)20-10)15(18)13-9-19-14-5-3-2-4-12(13)14/h2-5,10-11,13H,6-9,16H2,1H3
InChIKeyQODURBQVTLABRZ-UHFFFAOYSA-N
XLogP0.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681616
[(3R)-2,3-dihydro-1-benzofuran-3-yl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124512887
2-[(2R)-4-[(3R)-2,3-dihydro-1-benzofuran-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515413
[2-(aminomethyl)-6-methylmorpholin-4-yl]-cyclopropylmethanone
CID 102938416
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 102938298
(3-amino-4-methylpyrrolidin-1-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 103575894
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(7-bicyclo[4.1.0]heptanyl)methanone
CID 102938291
2,3-dihydro-1-benzofuran-3-yl-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304370
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
2-[1-(2,3-dihydro-1-benzofuran-3-carbonyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102657573
[(3S)-2,3-dihydro-1-benzofuran-3-yl]-[(1R,6R)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 98346719

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone (CID 102938360) is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone is CC1CN(C(=O)C2COc3ccccc32)CC(CN)O1.
What is the InChIKey of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone?
The InChIKey is QODURBQVTLABRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-7-17(8-11(6-16)20-10)15(18)13-9-19-14-5-3-2-4-12(13)14/h2-5,10-11,13H,6-9,16H2,1H3.
What are the key properties of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone?
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 102938360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).