2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate

C12H16ClNO3 — CID 4039

💊View drug profile → meclofenoxate
IUPAC2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate
SMILESCN(C)CCOC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyXZTYGFHCIAKPGJ-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.82
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate

2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate (PubChem CID 4039) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate
PubChem CID4039
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate
SMILESCN(C)CCOC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyXZTYGFHCIAKPGJ-UHFFFAOYSA-N
XLogP1.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Clofibrate
CID 2796
(4-Chlorophenoxy)acetic acid
CID 26229
Clofibride
CID 160134
Meclofenoxate Hydrochloride
CID 19379
2-(4-Chlorophenoxy)-N-(2-(diethylamino)ethyl)acetamide
CID 28554
2,4-D-tris(2-hydroxypropyl)ammonium
CID 62724
4-[2-(4-Chlorophenoxy)ethyl]morpholine
CID 868407
Acetic acid, (4-chlorophenoxy)-, ethyl ester
CID 26689
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
(4-Chloro-phenoxy)-acetic acid 1-methyl-2-piperidin-1-yl-ethyl ester
CID 2928132
4-[4-(4-Chlorophenoxy)-2-butyn-1-yl]morpholine oxalate
CID 2961620
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate (CID 4039) is 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate is CN(C)CCOC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate?
The InChIKey is XZTYGFHCIAKPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate?
2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate has a molecular weight of 257.72 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 4039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).