5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine

C24H33FN2O — CID 135322723

IUPAC5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
SMILESCCOC[C@]1(CCc2ccc(F)cc2)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C24H33FN2O/c1-5-28-18-24(13-12-20-7-10-22(25)11-8-20)14-15-27(17-24)23(3,4)21-9-6-19(2)26-16-21/h6-11,16H,5,12-15,17-18H2,1-4H3/t24-/m1/s1
InChIKeyOMPRSMCGSRTAGH-XMMPIXPASA-N
MW384.54 g/mol
LogP5.13
Rot. Bonds8

About 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine

5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (PubChem CID 135322723) has the molecular formula C24H33FN2O and a molecular weight of 384.54 g/mol. Its IUPAC name is 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
PubChem CID135322723
Molecular FormulaC24H33FN2O
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine
SMILESCCOC[C@]1(CCc2ccc(F)cc2)CCN(C(C)(C)c2ccc(C)nc2)C1
InChIInChI=1S/C24H33FN2O/c1-5-28-18-24(13-12-20-7-10-22(25)11-8-20)14-15-27(17-24)23(3,4)21-9-6-19(2)26-16-21/h6-11,16H,5,12-15,17-18H2,1-4H3/t24-/m1/s1
InChIKeyOMPRSMCGSRTAGH-XMMPIXPASA-N
XLogP5.13
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
The IUPAC name of 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine (CID 135322723) is 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine.
What is the SMILES notation for 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
The canonical SMILES for 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is CCOC[C@]1(CCc2ccc(F)cc2)CCN(C(C)(C)c2ccc(C)nc2)C1.
What is the InChIKey of 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
The InChIKey is OMPRSMCGSRTAGH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H33FN2O/c1-5-28-18-24(13-12-20-7-10-22(25)11-8-20)14-15-27(17-24)23(3,4)21-9-6-19(2)26-16-21/h6-11,16H,5,12-15,17-18H2,1-4H3/t24-/m1/s1.
What are the key properties of 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine?
5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine has a molecular weight of 384.54 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-3-(ethoxymethyl)-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-1-yl]propan-2-yl]-2-methylpyridine is sourced from PubChem (CID 135322723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).