1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine

C12H15Cl2NO — CID 869487

IUPAC1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine
SMILESClc1ccc(Cl)c(OCCN2CCCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-3-4-11(14)12(9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2
InChIKeyWFAJSRLAIMTPDY-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.47
Rot. Bonds4

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

1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine (PubChem CID 869487) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine
PubChem CID869487
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine
SMILESClc1ccc(Cl)c(OCCN2CCCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-10-3-4-11(14)12(9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2
InChIKeyWFAJSRLAIMTPDY-UHFFFAOYSA-N
XLogP3.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine (CID 869487) is 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine is Clc1ccc(Cl)c(OCCN2CCCC2)c1.
What is the InChIKey of 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine?
The InChIKey is WFAJSRLAIMTPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-10-3-4-11(14)12(9-10)16-8-7-15-5-1-2-6-15/h3-4,9H,1-2,5-8H2.
What are the key properties of 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine?
1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine has a molecular weight of 260.16 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dichlorophenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 869487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).