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

C20H25ClN- — CID 53312894

IUPAC(2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride
SMILES[Cl-].c1ccc(CC[C@@H]2CC[C@@H](CCc3ccccc3)N2)cc1
InChIInChI=1S/C20H25N.ClH/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;1H/p-1/t19-,20-;/m1./s1
InChIKeyUZJWMCHFEYLDMQ-GZJHNZOKSA-M
MW314.88 g/mol
LogP1.38
Rot. Bonds6

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

(2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride (PubChem CID 53312894) has the molecular formula C20H25ClN- and a molecular weight of 314.88 g/mol. Its IUPAC name is (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride.

Molecular Properties

Compound Name(2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride
PubChem CID53312894
Molecular FormulaC20H25ClN-
Molecular Weight314.88 g/mol
Exact Mass314.17
IUPAC Name(2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride
SMILES[Cl-].c1ccc(CC[C@@H]2CC[C@@H](CCc3ccccc3)N2)cc1
InChIInChI=1S/C20H25N.ClH/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;1H/p-1/t19-,20-;/m1./s1
InChIKeyUZJWMCHFEYLDMQ-GZJHNZOKSA-M
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.88
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride?
The IUPAC name of (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride (CID 53312894) is (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride.
What is the SMILES notation for (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride?
The canonical SMILES for (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride is [Cl-].c1ccc(CC[C@@H]2CC[C@@H](CCc3ccccc3)N2)cc1.
What is the InChIKey of (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride?
The InChIKey is UZJWMCHFEYLDMQ-GZJHNZOKSA-M. The full InChI is InChI=1S/C20H25N.ClH/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;1H/p-1/t19-,20-;/m1./s1.
What are the key properties of (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride?
(2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride has a molecular weight of 314.88 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-bis(2-phenylethyl)pyrrolidine chloride is sourced from PubChem (CID 53312894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).