1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one

C14H16N2O2 — CID 60875846

IUPAC1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCOc1cccc(N)c1
InChIInChI=1S/C14H16N2O2/c1-11-4-2-7-14(17)16(11)8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9,15H2,1H3
InChIKeyONJSCSUSSZIFNT-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.82
Rot. Bonds4

About 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one

1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one (PubChem CID 60875846) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
PubChem CID60875846
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCOc1cccc(N)c1
InChIInChI=1S/C14H16N2O2/c1-11-4-2-7-14(17)16(11)8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9,15H2,1H3
InChIKeyONJSCSUSSZIFNT-UHFFFAOYSA-N
XLogP1.82
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970700
1-[2-(4-bromophenoxy)ethyl]-6-methylpyridin-2-one
CID 54970701
3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
CID 82344656
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
CID 82147649
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
3-[2-(1,2,4-triazol-4-yl)ethoxy]aniline
CID 62677754
3-[2-(4-propylpiperazin-1-yl)ethoxy]aniline
CID 43174249
1-[2-(4-aminophenoxy)ethyl]-6-bromopyridin-2-one
CID 94751724
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
3-[2-(3-aminophenoxy)ethyl]-5-chloro-1,3-benzoxazol-2-one
CID 82097982
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one (CID 60875846) is 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCOc1cccc(N)c1.
What is the InChIKey of 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one?
The InChIKey is ONJSCSUSSZIFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11-4-2-7-14(17)16(11)8-9-18-13-6-3-5-12(15)10-13/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one?
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 60875846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).