3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one

C16H19ClN2O2 — CID 82517220

IUPAC3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2cc(Cl)ccc2OC)ccc(C(C)N)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-4-19-14(7-6-12(10(2)18)16(19)20)13-9-11(17)5-8-15(13)21-3/h5-10H,4,18H2,1-3H3
InChIKeyFXVIPMQQRUILDG-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.22
Rot. Bonds4

About 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one

3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one (PubChem CID 82517220) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
PubChem CID82517220
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one
SMILESCCn1c(-c2cc(Cl)ccc2OC)ccc(C(C)N)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-4-19-14(7-6-12(10(2)18)16(19)20)13-9-11(17)5-8-15(13)21-3/h5-10H,4,18H2,1-3H3
InChIKeyFXVIPMQQRUILDG-UHFFFAOYSA-N
XLogP3.22
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-chloro-2-methoxyphenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82517215
6-(5-chloro-2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbaldehyde
CID 82517213
3-amino-1-ethyl-6-(2-methoxy-5-methylphenyl)pyridin-2-one
CID 82467176
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
3-(2-aminopropan-2-yl)-6-(5-chloro-2-methoxyphenyl)-1-methylpyridin-2-one
CID 82517234
(1R)-1-(2-butoxy-5-chlorophenyl)ethanamine
CID 63366602
3-[amino-(4-methoxy-3-methylphenyl)methyl]-1-ethyl-6-methylpyridin-2-one
CID 82525413
(1S)-1-[2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]ethanamine
CID 78936759
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
1-[5-chloro-2-(ethoxymethoxy)phenyl]ethanamine
CID 65369844
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
CID 82526973

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one (CID 82517220) is 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one is CCn1c(-c2cc(Cl)ccc2OC)ccc(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one?
The InChIKey is FXVIPMQQRUILDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-4-19-14(7-6-12(10(2)18)16(19)20)13-9-11(17)5-8-15(13)21-3/h5-10H,4,18H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one?
3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-6-(5-chloro-2-methoxyphenyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 82517220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).