1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one

C17H22N2O2 — CID 82898565

IUPAC1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
SMILESCNC(C)c1ccc(C)cc1OCCn1ccccc1=O
InChIInChI=1S/C17H22N2O2/c1-13-7-8-15(14(2)18-3)16(12-13)21-11-10-19-9-5-4-6-17(19)20/h4-9,12,14,18H,10-11H2,1-3H3
InChIKeyGCOZSGJFAKAPKZ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one

1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one (PubChem CID 82898565) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
PubChem CID82898565
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
SMILESCNC(C)c1ccc(C)cc1OCCn1ccccc1=O
InChIInChI=1S/C17H22N2O2/c1-13-7-8-15(14(2)18-3)16(12-13)21-11-10-19-9-5-4-6-17(19)20/h4-9,12,14,18H,10-11H2,1-3H3
InChIKeyGCOZSGJFAKAPKZ-UHFFFAOYSA-N
XLogP2.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898557
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
1-[2-(2-methoxyethoxy)-4-methylphenyl]-N-methylethanamine
CID 63640120
1-(2-ethoxy-4-methylphenyl)-N-methylethanamine
CID 63639272
N-methyl-1-[5-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 61493032
1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899375
1-[2-[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899383
N-ethyl-1-[4-methyl-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanamine
CID 63641006
N-(3-methylbutan-2-yl)-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63638956
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
N-methyl-1-[4-methyl-2-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 63638936

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one (CID 82898565) is 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one is CNC(C)c1ccc(C)cc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
The InChIKey is GCOZSGJFAKAPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-13-7-8-15(14(2)18-3)16(12-13)21-11-10-19-9-5-4-6-17(19)20/h4-9,12,14,18H,10-11H2,1-3H3.
What are the key properties of 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one?
1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82898565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).