2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine

C18H22N2O — CID 170363947

IUPAC2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
SMILESCc1cccc(N2CCC(COc3ccccc3C)C2)n1
InChIInChI=1S/C18H22N2O/c1-14-6-3-4-8-17(14)21-13-16-10-11-20(12-16)18-9-5-7-15(2)19-18/h3-9,16H,10-13H2,1-2H3
InChIKeyVIEOPXJSSBXSFW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.60
Rot. Bonds4

About 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine

2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine (PubChem CID 170363947) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
PubChem CID170363947
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
SMILESCc1cccc(N2CCC(COc3ccccc3C)C2)n1
InChIInChI=1S/C18H22N2O/c1-14-6-3-4-8-17(14)21-13-16-10-11-20(12-16)18-9-5-7-15(2)19-18/h3-9,16H,10-13H2,1-2H3
InChIKeyVIEOPXJSSBXSFW-UHFFFAOYSA-N
XLogP3.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine (CID 170363947) is 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine is Cc1cccc(N2CCC(COc3ccccc3C)C2)n1.
What is the InChIKey of 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine?
The InChIKey is VIEOPXJSSBXSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-6-3-4-8-17(14)21-13-16-10-11-20(12-16)18-9-5-7-15(2)19-18/h3-9,16H,10-13H2,1-2H3.
What are the key properties of 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine?
2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 170363947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).