(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine

C20H25N — CID 15831905

IUPAC(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine
SMILESc1ccc(CC[C@@H]2CC[C@H](CCc3ccccc3)N2)cc1
InChIInChI=1S/C20H25N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20+
InChIKeyPUDQCLXRJFKADI-BGYRXZFFSA-N
MW279.43 g/mol
LogP4.37
Rot. Bonds6

About (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine

(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine (PubChem CID 15831905) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine
PubChem CID15831905
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine
SMILESc1ccc(CC[C@@H]2CC[C@H](CCc3ccccc3)N2)cc1
InChIInChI=1S/C20H25N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20+
InChIKeyPUDQCLXRJFKADI-BGYRXZFFSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine?
The IUPAC name of (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine (CID 15831905) is (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine.
What is the SMILES notation for (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine?
The canonical SMILES for (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine is c1ccc(CC[C@@H]2CC[C@H](CCc3ccccc3)N2)cc1.
What is the InChIKey of (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine?
The InChIKey is PUDQCLXRJFKADI-BGYRXZFFSA-N. The full InChI is InChI=1S/C20H25N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20+.
What are the key properties of (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine?
(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine has a molecular weight of 279.43 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 15831905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).