1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one

C16H19ClN2O2 — CID 82899534

IUPAC1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one
SMILESCC(N)Cc1c(Cl)cccc1OCCn1ccccc1=O
InChIInChI=1S/C16H19ClN2O2/c1-12(18)11-13-14(17)5-4-6-15(13)21-10-9-19-8-3-2-7-16(19)20/h2-8,12H,9-11,18H2,1H3
InChIKeyWWUVDXSVAFEUEX-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one

1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one (PubChem CID 82899534) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one
PubChem CID82899534
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one
SMILESCC(N)Cc1c(Cl)cccc1OCCn1ccccc1=O
InChIInChI=1S/C16H19ClN2O2/c1-12(18)11-13-14(17)5-4-6-15(13)21-10-9-19-8-3-2-7-16(19)20/h2-8,12H,9-11,18H2,1H3
InChIKeyWWUVDXSVAFEUEX-UHFFFAOYSA-N
XLogP2.47
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
1-[2-(2-iodophenoxy)ethyl]pyridin-2-one
CID 78917316
1-[2-chloro-6-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 114321854
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
1-[2-chloro-6-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]propan-2-amine
CID 114321907
2-[2-(2-aminopropyl)-3-chlorophenoxy]butanenitrile
CID 114321896

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one (CID 82899534) is 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one is CC(N)Cc1c(Cl)cccc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one?
The InChIKey is WWUVDXSVAFEUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-12(18)11-13-14(17)5-4-6-15(13)21-10-9-19-8-3-2-7-16(19)20/h2-8,12H,9-11,18H2,1H3.
What are the key properties of 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one?
1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-aminopropyl)-3-chlorophenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82899534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).