1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one

C17H22N2O2 — CID 62019127

IUPAC1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
SMILESCCNCc1ccc(OC)c(Cn2c(C)cccc2=O)c1
InChIInChI=1S/C17H22N2O2/c1-4-18-11-14-8-9-16(21-3)15(10-14)12-19-13(2)6-5-7-17(19)20/h5-10,18H,4,11-12H2,1-3H3
InChIKeyGMXQIDJGMBYEMO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.32
Rot. Bonds6

About 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one

1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one (PubChem CID 62019127) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
PubChem CID62019127
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one
SMILESCCNCc1ccc(OC)c(Cn2c(C)cccc2=O)c1
InChIInChI=1S/C17H22N2O2/c1-4-18-11-14-8-9-16(21-3)15(10-14)12-19-13(2)6-5-7-17(19)20/h5-10,18H,4,11-12H2,1-3H3
InChIKeyGMXQIDJGMBYEMO-UHFFFAOYSA-N
XLogP2.32
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

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Related Compounds

2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]pyridazin-3-one
CID 62850130
2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-5-methylpyridazin-3-one
CID 106548508
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54970751
2-[[2-methoxy-5-(propylaminomethyl)phenyl]methyl]pyridazin-3-one
CID 62850131
methyl 2-[[5-(ethylaminomethyl)-2-methoxyphenyl]methylsulfanyl]acetate
CID 64613327
N-[[3-(butan-2-ylsulfinylmethyl)-4-methoxyphenyl]methyl]ethanamine
CID 64652313
N-[[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62019466
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylbutan-1-amine
CID 62019095
N-[[4-methoxy-3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62986419
N-[[4-methoxy-3-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]ethanamine
CID 62988833
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-N-methylpentan-1-amine
CID 62017038

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one (CID 62019127) is 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one is CCNCc1ccc(OC)c(Cn2c(C)cccc2=O)c1.
What is the InChIKey of 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one?
The InChIKey is GMXQIDJGMBYEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-18-11-14-8-9-16(21-3)15(10-14)12-19-13(2)6-5-7-17(19)20/h5-10,18H,4,11-12H2,1-3H3.
What are the key properties of 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one?
1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-6-methylpyridin-2-one is sourced from PubChem (CID 62019127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).