1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one

C15H18N2O3 — CID 103566056

IUPAC1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
SMILESCOc1cc(CN)cc(OCCn2ccccc2=O)c1
InChIInChI=1S/C15H18N2O3/c1-19-13-8-12(11-16)9-14(10-13)20-7-6-17-5-3-2-4-15(17)18/h2-5,8-10H,6-7,11,16H2,1H3
InChIKeyNMJMEVLWZGYFFD-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.39
Rot. Bonds6

About 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one

1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one (PubChem CID 103566056) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
PubChem CID103566056
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one
SMILESCOc1cc(CN)cc(OCCn2ccccc2=O)c1
InChIInChI=1S/C15H18N2O3/c1-19-13-8-12(11-16)9-14(10-13)20-7-6-17-5-3-2-4-15(17)18/h2-5,8-10H,6-7,11,16H2,1H3
InChIKeyNMJMEVLWZGYFFD-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-(2-phenoxyethyl)benzamide
CID 2173139
3,5-diethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 3645341
3-methoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 2195599
2-[3-(aminomethyl)phenoxy]-N,N-dimethylacetamide
CID 16772899
N-allyl-N-(3-ethoxybenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 46996327
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxybenzamide
CID 15136975
1-[(3,5-Dimethoxyphenyl)methyl]pyrrole-2,5-dione
CID 139259911
(Z,2Z)-2-(1-aminoethylidene)-5-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]hex-3-enamide
CID 89148126
N-[(3,5-dimethoxyphenyl)methyl]-N-(3-fluoro-6-methyl-6-phenoxycyclohexa-1,3-dien-1-yl)acetamide
CID 143430291
2-amino-4-ethyl-5-fluoro-N-[[3-(3-methoxyphenoxy)phenyl]methyl]cyclohepta-1,4,6-triene-1-carboxamide
CID 143856527
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylprop-2-enamide
CID 26960573
(E)-3-(3,5-dimethoxyphenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylprop-2-enamide
CID 26994323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one (CID 103566056) is 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one is COc1cc(CN)cc(OCCn2ccccc2=O)c1.
What is the InChIKey of 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one?
The InChIKey is NMJMEVLWZGYFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-13-8-12(11-16)9-14(10-13)20-7-6-17-5-3-2-4-15(17)18/h2-5,8-10H,6-7,11,16H2,1H3.
What are the key properties of 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one?
1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one has a molecular weight of 274.32 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(aminomethyl)-5-methoxyphenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 103566056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).