1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one

C14H15BrN2O2 — CID 82147667

IUPAC1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
SMILESNc1cccc(OCCCn2cccc(Br)c2=O)c1
InChIInChI=1S/C14H15BrN2O2/c15-13-6-2-7-17(14(13)18)8-3-9-19-12-5-1-4-11(16)10-12/h1-2,4-7,10H,3,8-9,16H2
InChIKeyUEAOOOFYOYVACV-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one

1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one (PubChem CID 82147667) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
PubChem CID82147667
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
SMILESNc1cccc(OCCCn2cccc(Br)c2=O)c1
InChIInChI=1S/C14H15BrN2O2/c15-13-6-2-7-17(14(13)18)8-3-9-19-12-5-1-4-11(16)10-12/h1-2,4-7,10H,3,8-9,16H2
InChIKeyUEAOOOFYOYVACV-UHFFFAOYSA-N
XLogP2.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147683
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579175
1-[2-(3-aminophenoxy)ethyl]-3-bromo-5-methylpyridin-2-one
CID 82147649
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843
1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
CID 82151863
1-[(4-amino-2-bromophenyl)methyl]-3-bromopyridin-2-one
CID 114760067
5-[2-(3-aminophenoxy)ethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104734464
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
4-[3-(3-aminophenoxy)propyl]-3-methylpiperazin-2-one
CID 63595240

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one?
The IUPAC name of 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one (CID 82147667) is 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one.
What is the SMILES notation for 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one?
The canonical SMILES for 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one is Nc1cccc(OCCCn2cccc(Br)c2=O)c1.
What is the InChIKey of 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one?
The InChIKey is UEAOOOFYOYVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-13-6-2-7-17(14(13)18)8-3-9-19-12-5-1-4-11(16)10-12/h1-2,4-7,10H,3,8-9,16H2.
What are the key properties of 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one?
1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one has a molecular weight of 323.19 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one is sourced from PubChem (CID 82147667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).