[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone

C14H20N2O4 — CID 102938247

IUPAC[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C)OC(CN)C2)c1O
InChIInChI=1S/C14H20N2O4/c1-9-7-16(8-10(6-15)20-9)14(18)11-4-3-5-12(19-2)13(11)17/h3-5,9-10,17H,6-8,15H2,1-2H3
InChIKeyDAKNPFBZDNOJDY-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.59
Rot. Bonds3

About [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 102938247) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID102938247
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CC(C)OC(CN)C2)c1O
InChIInChI=1S/C14H20N2O4/c1-9-7-16(8-10(6-15)20-9)14(18)11-4-3-5-12(19-2)13(11)17/h3-5,9-10,17H,6-8,15H2,1-2H3
InChIKeyDAKNPFBZDNOJDY-UHFFFAOYSA-N
XLogP0.59
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 102938283
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-ethoxyphenyl)methanone
CID 102938261
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102938279
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 102938298
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(4-methoxyphenyl)methanone
CID 102938451
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 66210628
[2-(bromomethyl)morpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 81212035
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
(4-amino-2-methoxyphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102931441
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dihydroxyphenyl)methanone
CID 107727574
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone (CID 102938247) is [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CC(C)OC(CN)C2)c1O.
What is the InChIKey of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is DAKNPFBZDNOJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-7-16(8-10(6-15)20-9)14(18)11-4-3-5-12(19-2)13(11)17/h3-5,9-10,17H,6-8,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 280.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-6-methylmorpholin-4-yl]-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 102938247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).