3-[(2,6-dichlorophenyl)methoxy]pyrrolidine

C11H13Cl2NO — CID 62328259

IUPAC3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
SMILESClc1cccc(Cl)c1COC1CCNC1
InChIInChI=1S/C11H13Cl2NO/c12-10-2-1-3-11(13)9(10)7-15-8-4-5-14-6-8/h1-3,8,14H,4-7H2
InChIKeyBJHZHQLWJUFPIN-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.87
Rot. Bonds3

About 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine

3-[(2,6-dichlorophenyl)methoxy]pyrrolidine (PubChem CID 62328259) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
PubChem CID62328259
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
SMILESClc1cccc(Cl)c1COC1CCNC1
InChIInChI=1S/C11H13Cl2NO/c12-10-2-1-3-11(13)9(10)7-15-8-4-5-14-6-8/h1-3,8,14H,4-7H2
InChIKeyBJHZHQLWJUFPIN-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine (CID 62328259) is 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine is Clc1cccc(Cl)c1COC1CCNC1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine?
The InChIKey is BJHZHQLWJUFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c12-10-2-1-3-11(13)9(10)7-15-8-4-5-14-6-8/h1-3,8,14H,4-7H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine?
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine has a molecular weight of 246.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]pyrrolidine is sourced from PubChem (CID 62328259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).