2-(4-propan-2-ylphenyl)pyrrolidine

C13H19N — CID 4715220

IUPAC2-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H19N/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyZYXHXFDDXNHWHZ-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.23
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)pyrrolidine

2-(4-propan-2-ylphenyl)pyrrolidine (PubChem CID 4715220) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)pyrrolidine
PubChem CID4715220
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name2-(4-propan-2-ylphenyl)pyrrolidine
SMILESCC(C)c1ccc(C2CCCN2)cc1
InChIInChI=1S/C13H19N/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3
InChIKeyZYXHXFDDXNHWHZ-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)pyrrolidine?
The IUPAC name of 2-(4-propan-2-ylphenyl)pyrrolidine (CID 4715220) is 2-(4-propan-2-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)pyrrolidine is CC(C)c1ccc(C2CCCN2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)pyrrolidine?
The InChIKey is ZYXHXFDDXNHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-14-13/h5-8,10,13-14H,3-4,9H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)pyrrolidine?
2-(4-propan-2-ylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)pyrrolidine is sourced from PubChem (CID 4715220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).