1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one

C16H19ClN2O2 — CID 82898441

IUPAC1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one
SMILESCCNCc1cc(Cl)ccc1OCCn1ccccc1=O
InChIInChI=1S/C16H19ClN2O2/c1-2-18-12-13-11-14(17)6-7-15(13)21-10-9-19-8-4-3-5-16(19)20/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyDPZQIOUDHFUFCA-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.69
Rot. Bonds7

About 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one

1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one (PubChem CID 82898441) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one
PubChem CID82898441
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one
SMILESCCNCc1cc(Cl)ccc1OCCn1ccccc1=O
InChIInChI=1S/C16H19ClN2O2/c1-2-18-12-13-11-14(17)6-7-15(13)21-10-9-19-8-4-3-5-16(19)20/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyDPZQIOUDHFUFCA-UHFFFAOYSA-N
XLogP2.69
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-methyl-2-(methylaminomethyl)phenoxy]ethyl]pyridin-2-one
CID 82897921
N-[[5-chloro-2-(3-ethoxypropoxy)phenyl]methyl]ethanamine
CID 65175905
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
N-[[5-chloro-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999589
N-[[5-chloro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491520
1-[2-(5-chloro-2-nitrophenoxy)ethyl]pyridin-2-one
CID 78917327
N-[[5-chloro-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]ethanamine
CID 102999588
2-[4-chloro-2-(ethylaminomethyl)phenoxy]-N,N-diethylethanamine
CID 39291785
1-[2-[2-(2-hydroxyethyl)phenoxy]ethyl]pyridin-2-one
CID 107713241
1-[2-(4-acetyl-2-fluorophenoxy)ethyl]pyridin-2-one
CID 115610630
N-[[5-chloro-2-(phenylmethoxymethoxy)phenyl]methyl]ethanamine
CID 102939430
1-[2-(2-bromo-4-methylphenoxy)ethyl]pyridin-2-one
CID 82840444

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one (CID 82898441) is 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one is CCNCc1cc(Cl)ccc1OCCn1ccccc1=O.
What is the InChIKey of 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one?
The InChIKey is DPZQIOUDHFUFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-18-12-13-11-14(17)6-7-15(13)21-10-9-19-8-4-3-5-16(19)20/h3-8,11,18H,2,9-10,12H2,1H3.
What are the key properties of 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one?
1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-chloro-2-(ethylaminomethyl)phenoxy]ethyl]pyridin-2-one is sourced from PubChem (CID 82898441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).