6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one

C15H22N2O3 — CID 115068112

IUPAC6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
SMILESCOc1ccccc1CN1CC(C)(CCN)OCC1=O
InChIInChI=1S/C15H22N2O3/c1-15(7-8-16)11-17(14(18)10-20-15)9-12-5-3-4-6-13(12)19-2/h3-6H,7-11,16H2,1-2H3
InChIKeyLEJVUZLZQZZIRO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.16
Rot. Bonds5

About 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one

6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one (PubChem CID 115068112) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
PubChem CID115068112
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
SMILESCOc1ccccc1CN1CC(C)(CCN)OCC1=O
InChIInChI=1S/C15H22N2O3/c1-15(7-8-16)11-17(14(18)10-20-15)9-12-5-3-4-6-13(12)19-2/h3-6H,7-11,16H2,1-2H3
InChIKeyLEJVUZLZQZZIRO-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-hydroxyethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115067735
6-(aminomethyl)-4-[(2-bromophenyl)methyl]-6-methylmorpholin-3-one
CID 115068056
6-(2-aminoethyl)-4-[(3-chlorophenyl)methyl]-6-methylmorpholin-3-one
CID 115068104
2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
CID 115068259
5-(aminomethyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 75365946
5-(3-aminopropyl)-3-[(2-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 115060056
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
3-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 70040357
2-[(2-methoxyphenyl)methyl]-5-methyl-4H-pyrazol-3-one
CID 131886198
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[2-[(8R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrrolidin-2-one
CID 124820278

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
The IUPAC name of 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one (CID 115068112) is 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one.
What is the SMILES notation for 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
The canonical SMILES for 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one is COc1ccccc1CN1CC(C)(CCN)OCC1=O.
What is the InChIKey of 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
The InChIKey is LEJVUZLZQZZIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(7-8-16)11-17(14(18)10-20-15)9-12-5-3-4-6-13(12)19-2/h3-6H,7-11,16H2,1-2H3.
What are the key properties of 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one?
6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one has a molecular weight of 278.35 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one is sourced from PubChem (CID 115068112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).