1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one

C14H15BrN2O2 — CID 82152119

IUPAC1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one
SMILESCc1cc(OCCn2cc(Br)ccc2=O)ccc1N
InChIInChI=1S/C14H15BrN2O2/c1-10-8-12(3-4-13(10)16)19-7-6-17-9-11(15)2-5-14(17)18/h2-5,8-9H,6-7,16H2,1H3
InChIKeyZGGSQYYDWSCJKR-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one

1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one (PubChem CID 82152119) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one
PubChem CID82152119
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one
SMILESCc1cc(OCCn2cc(Br)ccc2=O)ccc1N
InChIInChI=1S/C14H15BrN2O2/c1-10-8-12(3-4-13(10)16)19-7-6-17-9-11(15)2-5-14(17)18/h2-5,8-9H,6-7,16H2,1H3
InChIKeyZGGSQYYDWSCJKR-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-[2-(4-aminophenoxy)ethyl]-5-bromopyridin-2-one
CID 43365768
5-amino-1-[3-(4-bromo-3-methylphenoxy)propyl]pyridin-2-one
CID 83133851
5-bromo-1-[2-(2-methylphenoxy)ethyl]pyridin-2-one
CID 52891668
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-[3-(2,5-dihydropyrrol-1-yl)propoxy]-2-methylaniline
CID 58962402
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
2-[[1-[2-(4-amino-3-methylphenoxy)ethyl]-2-oxo-3-pyridinyl]oxy]acetamide
CID 94758816
2-methyl-4-(3-piperidin-1-ylpropoxy)aniline
CID 39351364
5-bromo-1-[3-(methylamino)propyl]pyridin-2-one
CID 61387594
2-methyl-4-[2-(6-methylimidazo[4,5-b]pyridin-3-yl)ethoxy]aniline
CID 82152127
5-bromo-1-(4-methoxybutyl)pyridin-2-one
CID 115735573
2-methyl-4-nonoxyaniline
CID 43128997

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one?
The IUPAC name of 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one (CID 82152119) is 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one.
What is the SMILES notation for 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one?
The canonical SMILES for 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one is Cc1cc(OCCn2cc(Br)ccc2=O)ccc1N.
What is the InChIKey of 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one?
The InChIKey is ZGGSQYYDWSCJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-10-8-12(3-4-13(10)16)19-7-6-17-9-11(15)2-5-14(17)18/h2-5,8-9H,6-7,16H2,1H3.
What are the key properties of 1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one?
1-[2-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-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-(4-amino-3-methylphenoxy)ethyl]-5-bromopyridin-2-one is sourced from PubChem (CID 82152119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).