(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine

C22H29NO2 — CID 71624271

IUPAC(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
SMILESCOc1cccc(CC[C@@H]2CC[C@H](CCc3cccc(OC)c3)N2)c1
InChIInChI=1S/C22H29NO2/c1-24-21-7-3-5-17(15-21)9-11-19-13-14-20(23-19)12-10-18-6-4-8-22(16-18)25-2/h3-8,15-16,19-20,23H,9-14H2,1-2H3/t19-,20+
InChIKeyZLEDCHLFJIYXCU-BGYRXZFFSA-N
MW339.48 g/mol
LogP4.39
Rot. Bonds8

About (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine

(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine (PubChem CID 71624271) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
PubChem CID71624271
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
SMILESCOc1cccc(CC[C@@H]2CC[C@H](CCc3cccc(OC)c3)N2)c1
InChIInChI=1S/C22H29NO2/c1-24-21-7-3-5-17(15-21)9-11-19-13-14-20(23-19)12-10-18-6-4-8-22(16-18)25-2/h3-8,15-16,19-20,23H,9-14H2,1-2H3/t19-,20+
InChIKeyZLEDCHLFJIYXCU-BGYRXZFFSA-N
XLogP4.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine?
The IUPAC name of (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine (CID 71624271) is (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine.
What is the SMILES notation for (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine?
The canonical SMILES for (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine is COc1cccc(CC[C@@H]2CC[C@H](CCc3cccc(OC)c3)N2)c1.
What is the InChIKey of (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine?
The InChIKey is ZLEDCHLFJIYXCU-BGYRXZFFSA-N. The full InChI is InChI=1S/C22H29NO2/c1-24-21-7-3-5-17(15-21)9-11-19-13-14-20(23-19)12-10-18-6-4-8-22(16-18)25-2/h3-8,15-16,19-20,23H,9-14H2,1-2H3/t19-,20+.
What are the key properties of (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine?
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine has a molecular weight of 339.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 71624271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).