3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine

C19H24N2O — CID 18458840

IUPAC3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine
SMILESCN1CCCC1COc1cncc(CCc2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8-11,15H2,1H3
InChIKeyYKDUCUOEQZDTMD-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.34
Rot. Bonds6

About 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine

3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine (PubChem CID 18458840) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine.

Molecular Properties

Compound Name3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine
PubChem CID18458840
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine
SMILESCN1CCCC1COc1cncc(CCc2ccccc2)c1
InChIInChI=1S/C19H24N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8-11,15H2,1H3
InChIKeyYKDUCUOEQZDTMD-UHFFFAOYSA-N
XLogP3.34
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine?
The IUPAC name of 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine (CID 18458840) is 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine.
What is the SMILES notation for 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine?
The canonical SMILES for 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine is CN1CCCC1COc1cncc(CCc2ccccc2)c1.
What is the InChIKey of 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine?
The InChIKey is YKDUCUOEQZDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-21-11-5-8-18(21)15-22-19-12-17(13-20-14-19)10-9-16-6-3-2-4-7-16/h2-4,6-7,12-14,18H,5,8-11,15H2,1H3.
What are the key properties of 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine?
3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine has a molecular weight of 296.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(2-phenylethyl)pyridine is sourced from PubChem (CID 18458840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).