2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol

C23H32N2O2 — CID 135322716

IUPAC2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol
SMILESCCOCC1(CCc2ccccc2)CCN(C(CO)c2ccc(C)nc2)C1
InChIInChI=1S/C23H32N2O2/c1-3-27-18-23(12-11-20-7-5-4-6-8-20)13-14-25(17-23)22(16-26)21-10-9-19(2)24-15-21/h4-10,15,22,26H,3,11-14,16-18H2,1-2H3
InChIKeyLCOWFLLTBCQWJM-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.78
Rot. Bonds9

About 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol

2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol (PubChem CID 135322716) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol
PubChem CID135322716
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol
SMILESCCOCC1(CCc2ccccc2)CCN(C(CO)c2ccc(C)nc2)C1
InChIInChI=1S/C23H32N2O2/c1-3-27-18-23(12-11-20-7-5-4-6-8-20)13-14-25(17-23)22(16-26)21-10-9-19(2)24-15-21/h4-10,15,22,26H,3,11-14,16-18H2,1-2H3
InChIKeyLCOWFLLTBCQWJM-UHFFFAOYSA-N
XLogP3.78
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol (CID 135322716) is 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol is CCOCC1(CCc2ccccc2)CCN(C(CO)c2ccc(C)nc2)C1.
What is the InChIKey of 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol?
The InChIKey is LCOWFLLTBCQWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-27-18-23(12-11-20-7-5-4-6-8-20)13-14-25(17-23)22(16-26)21-10-9-19(2)24-15-21/h4-10,15,22,26H,3,11-14,16-18H2,1-2H3.
What are the key properties of 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol?
2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol has a molecular weight of 368.52 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 135322716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).