[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone

C14H20N2O4 — CID 81211614

IUPAC[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(CN)OCC2C)cc1O
InChIInChI=1S/C14H20N2O4/c1-9-8-20-11(6-15)7-16(9)14(18)10-3-4-13(19-2)12(17)5-10/h3-5,9,11,17H,6-8,15H2,1-2H3
InChIKeyXBJBFGAWCIFGLI-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.59
Rot. Bonds3

About [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone

[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone (PubChem CID 81211614) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
PubChem CID81211614
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC(CN)OCC2C)cc1O
InChIInChI=1S/C14H20N2O4/c1-9-8-20-11(6-15)7-16(9)14(18)10-3-4-13(19-2)12(17)5-10/h3-5,9,11,17H,6-8,15H2,1-2H3
InChIKeyXBJBFGAWCIFGLI-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

4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
(4-amino-3-bromophenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81202851
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442735
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
(3,4-dimethylpyrrolidin-1-yl)-(3-hydroxy-4-methoxyphenyl)methanone
CID 79672567
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212515
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(3,4-dimethoxyphenyl)methanone
CID 102938320
(3-bromo-4-fluorophenyl)-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 97250594
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
CID 79673840
2-azabicyclo[2.2.1]heptan-2-yl-(3-hydroxy-4-methoxyphenyl)methanone
CID 79601259

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
The IUPAC name of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone (CID 81211614) is [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC(CN)OCC2C)cc1O.
What is the InChIKey of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
The InChIKey is XBJBFGAWCIFGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-8-20-11(6-15)7-16(9)14(18)10-3-4-13(19-2)12(17)5-10/h3-5,9,11,17H,6-8,15H2,1-2H3.
What are the key properties of [2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone?
[2-(aminomethyl)-5-methylmorpholin-4-yl]-(3-hydroxy-4-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)-5-methylmorpholin-4-yl]-(3-hydroxy-4-methoxyphenyl)methanone is sourced from PubChem (CID 81211614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).