2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride

C14H21ClFNO3 — CID 9599

IUPAC2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride
SMILESCCN(CC)CCOC(=O)COc1ccc(F)cc1.Cl
InChIInChI=1S/C14H20FNO3.ClH/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H
InChIKeyCHDXBHHROSPLRM-UHFFFAOYSA-N
MW305.78 g/mol
LogP2.51
Rot. Bonds8

About 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride

2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride (PubChem CID 9599) has the molecular formula C14H21ClFNO3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride
PubChem CID9599
Molecular FormulaC14H21ClFNO3
Molecular Weight305.78 g/mol
Exact Mass305.12
IUPAC Name2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride
SMILESCCN(CC)CCOC(=O)COc1ccc(F)cc1.Cl
InChIInChI=1S/C14H20FNO3.ClH/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H
InChIKeyCHDXBHHROSPLRM-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride (CID 9599) is 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride is CCN(CC)CCOC(=O)COc1ccc(F)cc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride?
The InChIKey is CHDXBHHROSPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3.ClH/c1-3-16(4-2)9-10-18-14(17)11-19-13-7-5-12(15)6-8-13;/h5-8H,3-4,9-11H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride?
2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride has a molecular weight of 305.78 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(4-fluorophenoxy)acetate;hydrochloride is sourced from PubChem (CID 9599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).