2-tert-butyl-2-phenylpyrrolidine

C14H21N — CID 66465844

IUPAC2-tert-butyl-2-phenylpyrrolidine
SMILESCC(C)(C)C1(c2ccccc2)CCCN1
InChIInChI=1S/C14H21N/c1-13(2,3)14(10-7-11-15-14)12-8-5-4-6-9-12/h4-6,8-9,15H,7,10-11H2,1-3H3
InChIKeyJAGYHZCIEDHBOA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.31
Rot. Bonds1

About 2-tert-butyl-2-phenylpyrrolidine

2-tert-butyl-2-phenylpyrrolidine (PubChem CID 66465844) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-tert-butyl-2-phenylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-2-phenylpyrrolidine
PubChem CID66465844
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name2-tert-butyl-2-phenylpyrrolidine
SMILESCC(C)(C)C1(c2ccccc2)CCCN1
InChIInChI=1S/C14H21N/c1-13(2,3)14(10-7-11-15-14)12-8-5-4-6-9-12/h4-6,8-9,15H,7,10-11H2,1-3H3
InChIKeyJAGYHZCIEDHBOA-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-phenylpyrrolidine?
The IUPAC name of 2-tert-butyl-2-phenylpyrrolidine (CID 66465844) is 2-tert-butyl-2-phenylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-2-phenylpyrrolidine?
The canonical SMILES for 2-tert-butyl-2-phenylpyrrolidine is CC(C)(C)C1(c2ccccc2)CCCN1.
What is the InChIKey of 2-tert-butyl-2-phenylpyrrolidine?
The InChIKey is JAGYHZCIEDHBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-13(2,3)14(10-7-11-15-14)12-8-5-4-6-9-12/h4-6,8-9,15H,7,10-11H2,1-3H3.
What are the key properties of 2-tert-butyl-2-phenylpyrrolidine?
2-tert-butyl-2-phenylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-phenylpyrrolidine is sourced from PubChem (CID 66465844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).