2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide

C13H19ClN2O2 — CID 112615083

IUPAC2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(Cl)cccc1CCN
InChIInChI=1S/C13H19ClN2O2/c1-3-16-13(17)9(2)18-12-10(7-8-15)5-4-6-11(12)14/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyNWTUHXFAOOPLFC-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.74
Rot. Bonds6

About 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide (PubChem CID 112615083) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
PubChem CID112615083
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(Cl)cccc1CCN
InChIInChI=1S/C13H19ClN2O2/c1-3-16-13(17)9(2)18-12-10(7-8-15)5-4-6-11(12)14/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)
InChIKeyNWTUHXFAOOPLFC-UHFFFAOYSA-N
XLogP1.74
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[2-(2-aminoethyl)-3-chlorophenoxy]-N-ethylpropanamide
CID 113277086
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-propylpropanamide
CID 61391964
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 115956282
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide (CID 112615083) is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1c(Cl)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide?
The InChIKey is NWTUHXFAOOPLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16-13(17)9(2)18-12-10(7-8-15)5-4-6-11(12)14/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide?
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 112615083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).