2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide

C13H19ClN2O2 — CID 112615060

IUPAC2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(Cl)cccc1CCN
InChIInChI=1S/C13H19ClN2O2/c1-3-16(2)12(17)9-18-13-10(7-8-15)5-4-6-11(13)14/h4-6H,3,7-9,15H2,1-2H3
InChIKeyYYPMFFQGYMASMF-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.70
Rot. Bonds6

About 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide (PubChem CID 112615060) 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-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
PubChem CID112615060
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(Cl)cccc1CCN
InChIInChI=1S/C13H19ClN2O2/c1-3-16(2)12(17)9-18-13-10(7-8-15)5-4-6-11(13)14/h4-6H,3,7-9,15H2,1-2H3
InChIKeyYYPMFFQGYMASMF-UHFFFAOYSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
CID 112615081
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-(2,6-dichlorophenoxy)-N,N-dimethylacetamide
CID 78765476
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
CID 112608901
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 43309382
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-[3-chloro-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728453
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-(3-chloro-2-cyanophenoxy)-N-ethyl-N-methylacetamide
CID 79035646

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide (CID 112615060) is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1c(Cl)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide?
The InChIKey is YYPMFFQGYMASMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-3-16(2)12(17)9-18-13-10(7-8-15)5-4-6-11(13)14/h4-6H,3,7-9,15H2,1-2H3.
What are the key properties of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide?
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide has a molecular weight of 270.76 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 112615060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).