2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine

C23H23ClN2O — CID 46942612

IUPAC2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine
SMILESCC1(Oc2ccc(Cl)cc2)CCN(Cc2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C23H23ClN2O/c1-23(27-21-11-9-20(24)10-12-21)13-15-26(17-23)16-18-5-7-19(8-6-18)22-4-2-3-14-25-22/h2-12,14H,13,15-17H2,1H3
InChIKeyFQHJMVGNQJCVGT-UHFFFAOYSA-N
MW378.90 g/mol
LogP5.45
Rot. Bonds5

About 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine

2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine (PubChem CID 46942612) has the molecular formula C23H23ClN2O and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine
PubChem CID46942612
Molecular FormulaC23H23ClN2O
Molecular Weight378.90 g/mol
Exact Mass378.15
IUPAC Name2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine
SMILESCC1(Oc2ccc(Cl)cc2)CCN(Cc2ccc(-c3ccccn3)cc2)C1
InChIInChI=1S/C23H23ClN2O/c1-23(27-21-11-9-20(24)10-12-21)13-15-26(17-23)16-18-5-7-19(8-6-18)22-4-2-3-14-25-22/h2-12,14H,13,15-17H2,1H3
InChIKeyFQHJMVGNQJCVGT-UHFFFAOYSA-N
XLogP5.45
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine?
The IUPAC name of 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine (CID 46942612) is 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine is CC1(Oc2ccc(Cl)cc2)CCN(Cc2ccc(-c3ccccn3)cc2)C1.
What is the InChIKey of 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine?
The InChIKey is FQHJMVGNQJCVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O/c1-23(27-21-11-9-20(24)10-12-21)13-15-26(17-23)16-18-5-7-19(8-6-18)22-4-2-3-14-25-22/h2-12,14H,13,15-17H2,1H3.
What are the key properties of 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine?
2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine has a molecular weight of 378.90 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]methyl]phenyl]pyridine is sourced from PubChem (CID 46942612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).