2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide

C11H15ClN2O2 — CID 43309382

IUPAC2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-3-14(2)11(15)7-16-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKeyHHISJKMAHZKJEL-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.78
Rot. Bonds4

About 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide

2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide (PubChem CID 43309382) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
PubChem CID43309382
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)COc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-3-14(2)11(15)7-16-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3
InChIKeyHHISJKMAHZKJEL-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 106954840
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
3-(4-amino-2-chlorophenoxy)-N,N-dimethylpropanamide
CID 47002615
2-(2-acetyl-4-chlorophenoxy)-N-ethyl-N-methylacetamide
CID 60758125
5-chloro-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzenesulfonyl chloride
CID 82921083
2-(4-chloro-2-formylphenoxy)-N-ethyl-N-methylacetamide
CID 43307243
2-[(2-amino-6-methyl-3-pyridinyl)oxy]-N-ethyl-N-methylacetamide
CID 62097636
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-(2,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79291699
2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
CID 102702283
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 54930640
2-(4-aminophenyl)-N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]acetamide
CID 119717697

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide (CID 43309382) is 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide is CCN(C)C(=O)COc1ccc(N)cc1Cl.
What is the InChIKey of 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide?
The InChIKey is HHISJKMAHZKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-14(2)11(15)7-16-10-5-4-8(13)6-9(10)12/h4-6H,3,7,13H2,1-2H3.
What are the key properties of 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide?
2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide has a molecular weight of 242.71 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-chlorophenoxy)-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43309382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).