2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine

C25H27N — CID 101474055

IUPAC2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine
SMILESCC1CC(c2ccccc2)(c2ccccc2)CN1CCc1ccccc1
InChIInChI=1S/C25H27N/c1-21-19-25(23-13-7-3-8-14-23,24-15-9-4-10-16-24)20-26(21)18-17-22-11-5-2-6-12-22/h2-16,21H,17-20H2,1H3
InChIKeyTWXWEJWYWMEYJE-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.31
Rot. Bonds5

About 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine

2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine (PubChem CID 101474055) has the molecular formula C25H27N and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine
PubChem CID101474055
Molecular FormulaC25H27N
Molecular Weight341.50 g/mol
Exact Mass341.21
IUPAC Name2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine
SMILESCC1CC(c2ccccc2)(c2ccccc2)CN1CCc1ccccc1
InChIInChI=1S/C25H27N/c1-21-19-25(23-13-7-3-8-14-23,24-15-9-4-10-16-24)20-26(21)18-17-22-11-5-2-6-12-22/h2-16,21H,17-20H2,1H3
InChIKeyTWXWEJWYWMEYJE-UHFFFAOYSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine?
The IUPAC name of 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine (CID 101474055) is 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine.
What is the SMILES notation for 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine?
The canonical SMILES for 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine is CC1CC(c2ccccc2)(c2ccccc2)CN1CCc1ccccc1.
What is the InChIKey of 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine?
The InChIKey is TWXWEJWYWMEYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N/c1-21-19-25(23-13-7-3-8-14-23,24-15-9-4-10-16-24)20-26(21)18-17-22-11-5-2-6-12-22/h2-16,21H,17-20H2,1H3.
What are the key properties of 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine?
2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine has a molecular weight of 341.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,4-diphenyl-1-(2-phenylethyl)pyrrolidine is sourced from PubChem (CID 101474055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).