3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine

C12H15Cl2NO — CID 143065328

IUPAC3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine
SMILESCN1CCC(OCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c1-15-5-4-11(7-15)16-8-9-6-10(13)2-3-12(9)14/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyMSKIIVOJNWYTGM-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.21
Rot. Bonds3

About 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine

3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine (PubChem CID 143065328) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine
PubChem CID143065328
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine
SMILESCN1CCC(OCc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C12H15Cl2NO/c1-15-5-4-11(7-15)16-8-9-6-10(13)2-3-12(9)14/h2-3,6,11H,4-5,7-8H2,1H3
InChIKeyMSKIIVOJNWYTGM-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine?
The IUPAC name of 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine (CID 143065328) is 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine?
The canonical SMILES for 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine is CN1CCC(OCc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine?
The InChIKey is MSKIIVOJNWYTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-15-5-4-11(7-15)16-8-9-6-10(13)2-3-12(9)14/h2-3,6,11H,4-5,7-8H2,1H3.
What are the key properties of 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine?
3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine has a molecular weight of 260.16 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)methoxy]-1-methylpyrrolidine is sourced from PubChem (CID 143065328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).