3-(2,3-dimethoxyphenoxy)pyrrolidine

C12H17NO3 — CID 83536735

IUPAC3-(2,3-dimethoxyphenoxy)pyrrolidine
SMILESCOc1cccc(OC2CCNC2)c1OC
InChIInChI=1S/C12H17NO3/c1-14-10-4-3-5-11(12(10)15-2)16-9-6-7-13-8-9/h3-5,9,13H,6-8H2,1-2H3
InChIKeyCDMOIBMFUOWQBN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.44
Rot. Bonds4

About 3-(2,3-dimethoxyphenoxy)pyrrolidine

3-(2,3-dimethoxyphenoxy)pyrrolidine (PubChem CID 83536735) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3-(2,3-dimethoxyphenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2,3-dimethoxyphenoxy)pyrrolidine
PubChem CID83536735
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3-(2,3-dimethoxyphenoxy)pyrrolidine
SMILESCOc1cccc(OC2CCNC2)c1OC
InChIInChI=1S/C12H17NO3/c1-14-10-4-3-5-11(12(10)15-2)16-9-6-7-13-8-9/h3-5,9,13H,6-8H2,1-2H3
InChIKeyCDMOIBMFUOWQBN-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dimethoxyphenoxy)pyrrolidine 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-(2,3-dimethoxyphenoxy)pyrrolidine?
The IUPAC name of 3-(2,3-dimethoxyphenoxy)pyrrolidine (CID 83536735) is 3-(2,3-dimethoxyphenoxy)pyrrolidine.
What is the SMILES notation for 3-(2,3-dimethoxyphenoxy)pyrrolidine?
The canonical SMILES for 3-(2,3-dimethoxyphenoxy)pyrrolidine is COc1cccc(OC2CCNC2)c1OC.
What is the InChIKey of 3-(2,3-dimethoxyphenoxy)pyrrolidine?
The InChIKey is CDMOIBMFUOWQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-14-10-4-3-5-11(12(10)15-2)16-9-6-7-13-8-9/h3-5,9,13H,6-8H2,1-2H3.
What are the key properties of 3-(2,3-dimethoxyphenoxy)pyrrolidine?
3-(2,3-dimethoxyphenoxy)pyrrolidine has a molecular weight of 223.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethoxyphenoxy)pyrrolidine is sourced from PubChem (CID 83536735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).