2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine

C21H27NO — CID 71391438

IUPAC2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine
SMILESCC(ON1C(C)(C)CCC1(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-17(18-11-7-5-8-12-18)23-22-20(2,3)15-16-21(22,4)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyWYYMSRLTYCZQBC-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.47
Rot. Bonds4

About 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine

2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine (PubChem CID 71391438) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine.

Molecular Properties

Compound Name2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine
PubChem CID71391438
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine
SMILESCC(ON1C(C)(C)CCC1(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-17(18-11-7-5-8-12-18)23-22-20(2,3)15-16-21(22,4)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3
InChIKeyWYYMSRLTYCZQBC-UHFFFAOYSA-N
XLogP5.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine?
The IUPAC name of 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine (CID 71391438) is 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine.
What is the SMILES notation for 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine?
The canonical SMILES for 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine is CC(ON1C(C)(C)CCC1(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine?
The InChIKey is WYYMSRLTYCZQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-17(18-11-7-5-8-12-18)23-22-20(2,3)15-16-21(22,4)19-13-9-6-10-14-19/h5-14,17H,15-16H2,1-4H3.
What are the key properties of 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine?
2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-phenyl-1-(1-phenylethoxy)pyrrolidine is sourced from PubChem (CID 71391438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).