1-methyl-4-phenyl-2-propan-2-ylpyrrolidine

C14H21N — CID 158471478

IUPAC1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(c2ccccc2)CN1C
InChIInChI=1S/C14H21N/c1-11(2)14-9-13(10-15(14)3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeyXSRGUIRFUZCBGY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine

1-methyl-4-phenyl-2-propan-2-ylpyrrolidine (PubChem CID 158471478) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
PubChem CID158471478
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-methyl-4-phenyl-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(c2ccccc2)CN1C
InChIInChI=1S/C14H21N/c1-11(2)14-9-13(10-15(14)3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3
InChIKeyXSRGUIRFUZCBGY-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine (CID 158471478) is 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine is CC(C)C1CC(c2ccccc2)CN1C.
What is the InChIKey of 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine?
The InChIKey is XSRGUIRFUZCBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11(2)14-9-13(10-15(14)3)12-7-5-4-6-8-12/h4-8,11,13-14H,9-10H2,1-3H3.
What are the key properties of 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine?
1-methyl-4-phenyl-2-propan-2-ylpyrrolidine has a molecular weight of 203.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 158471478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).