3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine

C19H23NO2 — CID 68926900

IUPAC3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
SMILESCOc1ccc(-c2ccccc2COC2CCNC2)cc1C
InChIInChI=1S/C19H23NO2/c1-14-11-15(7-8-19(14)21-2)18-6-4-3-5-16(18)13-22-17-9-10-20-12-17/h3-8,11,17,20H,9-10,12-13H2,1-2H3
InChIKeyODWPZJIBDWVELQ-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.55
Rot. Bonds5

About 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine

3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine (PubChem CID 68926900) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
PubChem CID68926900
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine
SMILESCOc1ccc(-c2ccccc2COC2CCNC2)cc1C
InChIInChI=1S/C19H23NO2/c1-14-11-15(7-8-19(14)21-2)18-6-4-3-5-16(18)13-22-17-9-10-20-12-17/h3-8,11,17,20H,9-10,12-13H2,1-2H3
InChIKeyODWPZJIBDWVELQ-UHFFFAOYSA-N
XLogP3.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine?
The IUPAC name of 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine (CID 68926900) is 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine.
What is the SMILES notation for 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine?
The canonical SMILES for 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine is COc1ccc(-c2ccccc2COC2CCNC2)cc1C.
What is the InChIKey of 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine?
The InChIKey is ODWPZJIBDWVELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-11-15(7-8-19(14)21-2)18-6-4-3-5-16(18)13-22-17-9-10-20-12-17/h3-8,11,17,20H,9-10,12-13H2,1-2H3.
What are the key properties of 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine?
3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine has a molecular weight of 297.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxy-3-methylphenyl)phenyl]methoxy]pyrrolidine is sourced from PubChem (CID 68926900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).