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

C12H17Cl2NO3 — CID 19379

IUPAC2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride
SMILESCN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClNO3.ClH/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;/h3-6H,7-9H2,1-2H3;1H
InChIKeyFIVHOHCAXWQPGC-UHFFFAOYSA-N
MW294.18 g/mol
LogP2.25
Rot. Bonds6

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

2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride (PubChem CID 19379) has the molecular formula C12H17Cl2NO3 and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride
PubChem CID19379
Molecular FormulaC12H17Cl2NO3
Molecular Weight294.18 g/mol
Exact Mass293.06
IUPAC Name2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride
SMILESCN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl
InChIInChI=1S/C12H16ClNO3.ClH/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;/h3-6H,7-9H2,1-2H3;1H
InChIKeyFIVHOHCAXWQPGC-UHFFFAOYSA-N
XLogP2.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride (CID 19379) is 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride is CN(C)CCOC(=O)COc1ccc(Cl)cc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride?
The InChIKey is FIVHOHCAXWQPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3.ClH/c1-14(2)7-8-16-12(15)9-17-11-5-3-10(13)4-6-11;/h3-6H,7-9H2,1-2H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride?
2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate;hydrochloride has a molecular weight of 294.18 g/mol, XLogP of 2.25, 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;hydrochloride is sourced from PubChem (CID 19379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).