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

C18H21NO — CID 68921724

IUPAC3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
SMILESCc1ccc(-c2ccccc2COC2CCNC2)cc1
InChIInChI=1S/C18H21NO/c1-14-6-8-15(9-7-14)18-5-3-2-4-16(18)13-20-17-10-11-19-12-17/h2-9,17,19H,10-13H2,1H3
InChIKeyQZDLXDGUELPWKB-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.54
Rot. Bonds4

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

3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine (PubChem CID 68921724) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
PubChem CID68921724
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine
SMILESCc1ccc(-c2ccccc2COC2CCNC2)cc1
InChIInChI=1S/C18H21NO/c1-14-6-8-15(9-7-14)18-5-3-2-4-16(18)13-20-17-10-11-19-12-17/h2-9,17,19H,10-13H2,1H3
InChIKeyQZDLXDGUELPWKB-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine?
The IUPAC name of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine (CID 68921724) is 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine.
What is the SMILES notation for 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine?
The canonical SMILES for 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine is Cc1ccc(-c2ccccc2COC2CCNC2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine?
The InChIKey is QZDLXDGUELPWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-14-6-8-15(9-7-14)18-5-3-2-4-16(18)13-20-17-10-11-19-12-17/h2-9,17,19H,10-13H2,1H3.
What are the key properties of 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine?
3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine has a molecular weight of 267.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)phenyl]methoxy]pyrrolidine is sourced from PubChem (CID 68921724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).