1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine

C13H17Cl2NO — CID 5210786

IUPAC1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine
SMILESClc1cccc(OCCCN2CCCC2)c1Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-5-3-6-12(13(11)15)17-10-4-9-16-7-1-2-8-16/h3,5-6H,1-2,4,7-10H2
InChIKeyGNUQRBYVCIMPBV-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.86
Rot. Bonds5

About 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine

1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine (PubChem CID 5210786) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine
PubChem CID5210786
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine
SMILESClc1cccc(OCCCN2CCCC2)c1Cl
InChIInChI=1S/C13H17Cl2NO/c14-11-5-3-6-12(13(11)15)17-10-4-9-16-7-1-2-8-16/h3,5-6H,1-2,4,7-10H2
InChIKeyGNUQRBYVCIMPBV-UHFFFAOYSA-N
XLogP3.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine (CID 5210786) is 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine is Clc1cccc(OCCCN2CCCC2)c1Cl.
What is the InChIKey of 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine?
The InChIKey is GNUQRBYVCIMPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c14-11-5-3-6-12(13(11)15)17-10-4-9-16-7-1-2-8-16/h3,5-6H,1-2,4,7-10H2.
What are the key properties of 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine?
1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine has a molecular weight of 274.19 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dichlorophenoxy)propyl]pyrrolidine is sourced from PubChem (CID 5210786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).