5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine

C24H34N2O — CID 135322558

IUPAC5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
SMILESCCOCC1(CCc2ccccc2)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C24H34N2O/c1-5-27-19-24(14-13-21-9-7-6-8-10-21)15-16-26(18-24)23(3,4)22-12-11-20(2)25-17-22/h6-12,17H,5,13-16,18-19H2,1-4H3
InChIKeyNYRSYBKSWFJMBX-UHFFFAOYSA-N
MW366.55 g/mol
LogP4.99
Rot. Bonds8

About 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine

5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (PubChem CID 135322558) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
PubChem CID135322558
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Name5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
SMILESCCOCC1(CCc2ccccc2)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C24H34N2O/c1-5-27-19-24(14-13-21-9-7-6-8-10-21)15-16-26(18-24)23(3,4)22-12-11-20(2)25-17-22/h6-12,17H,5,13-16,18-19H2,1-4H3
InChIKeyNYRSYBKSWFJMBX-UHFFFAOYSA-N
XLogP4.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
The IUPAC name of 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (CID 135322558) is 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.
What is the SMILES notation for 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
The canonical SMILES for 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is CCOCC1(CCc2ccccc2)CCN(C(C)(C)c2ccc(C)nc2)C1.
What is the InChIKey of 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
The InChIKey is NYRSYBKSWFJMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O/c1-5-27-19-24(14-13-21-9-7-6-8-10-21)15-16-26(18-24)23(3,4)22-12-11-20(2)25-17-22/h6-12,17H,5,13-16,18-19H2,1-4H3.
What are the key properties of 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine has a molecular weight of 366.55 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is sourced from PubChem (CID 135322558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).