2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine

C14H19Cl2NO — CID 23318303

IUPAC2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
SMILESCCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-3-17-6-4-5-14(17)10(2)18-13-8-11(15)7-12(16)9-13/h7-10,14H,3-6H2,1-2H3
InChIKeyQMHPKHPXTAEHLD-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.24
Rot. Bonds4

About 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine

2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine (PubChem CID 23318303) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
PubChem CID23318303
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
SMILESCCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-3-17-6-4-5-14(17)10(2)18-13-8-11(15)7-12(16)9-13/h7-10,14H,3-6H2,1-2H3
InChIKeyQMHPKHPXTAEHLD-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
The IUPAC name of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine (CID 23318303) is 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine.
What is the SMILES notation for 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
The canonical SMILES for 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine is CCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
The InChIKey is QMHPKHPXTAEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-3-17-6-4-5-14(17)10(2)18-13-8-11(15)7-12(16)9-13/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine has a molecular weight of 288.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine is sourced from PubChem (CID 23318303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).