(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine

C21H27N — CID 44598246

IUPAC(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
SMILESCN1[C@@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C21H27N/c1-22-20(14-12-18-8-4-2-5-9-18)16-17-21(22)15-13-19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3/t20-,21-/m0/s1
InChIKeyKTRZGLCVCAVBHT-SFTDATJTSA-N
MW293.45 g/mol
LogP4.71
Rot. Bonds6

About (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine

(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine (PubChem CID 44598246) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
PubChem CID44598246
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC Name(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
SMILESCN1[C@@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1
InChIInChI=1S/C21H27N/c1-22-20(14-12-18-8-4-2-5-9-18)16-17-21(22)15-13-19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3/t20-,21-/m0/s1
InChIKeyKTRZGLCVCAVBHT-SFTDATJTSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine?
The IUPAC name of (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine (CID 44598246) is (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine.
What is the SMILES notation for (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine?
The canonical SMILES for (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine is CN1[C@@H](CCc2ccccc2)CC[C@@H]1CCc1ccccc1.
What is the InChIKey of (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine?
The InChIKey is KTRZGLCVCAVBHT-SFTDATJTSA-N. The full InChI is InChI=1S/C21H27N/c1-22-20(14-12-18-8-4-2-5-9-18)16-17-21(22)15-13-19-10-6-3-7-11-19/h2-11,20-21H,12-17H2,1H3/t20-,21-/m0/s1.
What are the key properties of (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine?
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine has a molecular weight of 293.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 44598246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).