1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one

C14H15BrN2O2 — CID 82147649

IUPAC1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
SMILESCc1cc(Br)c(=O)n(CCOc2cccc(N)c2)c1
InChIInChI=1S/C14H15BrN2O2/c1-10-7-13(15)14(18)17(9-10)5-6-19-12-4-2-3-11(16)8-12/h2-4,7-9H,5-6,16H2,1H3
InChIKeyAPCMDWLBBOEJNE-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one

1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one (PubChem CID 82147649) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
PubChem CID82147649
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
SMILESCc1cc(Br)c(=O)n(CCOc2cccc(N)c2)c1
InChIInChI=1S/C14H15BrN2O2/c1-10-7-13(15)14(18)17(9-10)5-6-19-12-4-2-3-11(16)8-12/h2-4,7-9H,5-6,16H2,1H3
InChIKeyAPCMDWLBBOEJNE-UHFFFAOYSA-N
XLogP2.58
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.58
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-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147667
1-[2-(3-aminophenoxy)ethyl]-6-methylpyridin-2-one
CID 60875846
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
1-[2-(3-aminophenoxy)ethyl]-5-chloropyrimidine-2,4-dione
CID 66423555
3-[2-(4-bromo-3-methylphenoxy)ethoxy]aniline
CID 83133247
3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
3-[2-(4-methylindol-1-yl)ethoxy]aniline
CID 43365841
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
3-[2-(3-aminophenoxy)ethyl]-6-methyl-1,3-benzoxazol-2-one
CID 82344656
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
CID 82151863

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one?
The IUPAC name of 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one (CID 82147649) is 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one?
The canonical SMILES for 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one is Cc1cc(Br)c(=O)n(CCOc2cccc(N)c2)c1.
What is the InChIKey of 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one?
The InChIKey is APCMDWLBBOEJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-10-7-13(15)14(18)17(9-10)5-6-19-12-4-2-3-11(16)8-12/h2-4,7-9H,5-6,16H2,1H3.
What are the key properties of 1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one?
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one has a molecular weight of 323.19 g/mol, XLogP of 2.58, 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]-3-bromo-5-methylpyridin-2-one is sourced from PubChem (CID 82147649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).