1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one

C16H20N2O2 — CID 82897921

IUPAC1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
SMILESCNCc1cc(C)ccc1OCCn1ccccc1=O
InChIInChI=1S/C16H20N2O2/c1-13-6-7-15(14(11-13)12-17-2)20-10-9-18-8-4-3-5-16(18)19/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyOYESFVUNRWSMQI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one

1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one (PubChem CID 82897921) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
PubChem CID82897921
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
SMILESCNCc1cc(C)ccc1OCCn1ccccc1=O
InChIInChI=1S/C16H20N2O2/c1-13-6-7-15(14(11-13)12-17-2)20-10-9-18-8-4-3-5-16(18)19/h3-8,11,17H,9-10,12H2,1-2H3
InChIKeyOYESFVUNRWSMQI-UHFFFAOYSA-N
XLogP1.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444
1-[2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898565
1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898441
1-[2-[2-methoxy-6-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82898545
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
1-[2-[2-(3-chloroprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899383
1-[2-[2-(3-hydroxyprop-1-ynyl)-4-methylphenoxy]ethyl]pyridin-2-one
CID 82899375
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239
1-[2-[2,6-dibromo-4-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 107741788
N-methyl-1-(5-methyl-2-pentoxyphenyl)methanamine
CID 63323494
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
1-[2-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]ethyl]pyridin-2-one
CID 82898557

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one (CID 82897921) is 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one is CNCc1cc(C)ccc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one?
The InChIKey is OYESFVUNRWSMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-13-6-7-15(14(11-13)12-17-2)20-10-9-18-8-4-3-5-16(18)19/h3-8,11,17H,9-10,12H2,1-2H3.
What are the key properties of 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one?
1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82897921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).