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

C12H17ClN2O2 — CID 112615081

IUPAC2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cccc1CCN
InChIInChI=1S/C12H17ClN2O2/c1-2-15-11(16)8-17-12-9(6-7-14)4-3-5-10(12)13/h3-5H,2,6-8,14H2,1H3,(H,15,16)
InChIKeyJJCWPANVKZRMCN-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.36
Rot. Bonds6

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

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide (PubChem CID 112615081) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
PubChem CID112615081
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1c(Cl)cccc1CCN
InChIInChI=1S/C12H17ClN2O2/c1-2-15-11(16)8-17-12-9(6-7-14)4-3-5-10(12)13/h3-5H,2,6-8,14H2,1H3,(H,15,16)
InChIKeyJJCWPANVKZRMCN-UHFFFAOYSA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 112614976
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060
2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-ethylacetamide
CID 115954882
3-[2-(aminomethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112607866
2-[2-chloro-6-(ethylaminomethyl)phenoxy]-N-prop-2-enylacetamide
CID 112609262
N-tert-butyl-2-[2-chloro-6-(ethylaminomethyl)phenoxy]acetamide
CID 115953044
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(cyanomethyl)acetamide
CID 112614713
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-tert-butylacetamide
CID 112614743
2-[2,4-dichloro-6-(hydroxymethyl)phenoxy]-N-ethylacetamide
CID 43516177
2-[2-(2-aminoethyl)-6-chlorophenoxy]propanamide
CID 112615054
2-[3-chloro-2-(2-propylsulfonylethoxy)phenyl]ethanamine
CID 106728453

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide (CID 112615081) is 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide is CCNC(=O)COc1c(Cl)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide?
The InChIKey is JJCWPANVKZRMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-2-15-11(16)8-17-12-9(6-7-14)4-3-5-10(12)13/h3-5H,2,6-8,14H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide?
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylacetamide has a molecular weight of 256.73 g/mol, XLogP of 1.36, 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-ethylacetamide is sourced from PubChem (CID 112615081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).