1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine

C21H27NO — CID 1329134

IUPAC1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine
SMILESCC(C)(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C21H27NO/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)23-17-16-22-14-6-7-15-22/h3-5,8-13H,6-7,14-17H2,1-2H3
InChIKeyOUIDHMRCLSZNME-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.49
Rot. Bonds6

About 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine

1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine (PubChem CID 1329134) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine
PubChem CID1329134
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine
SMILESCC(C)(c1ccccc1)c1ccc(OCCN2CCCC2)cc1
InChIInChI=1S/C21H27NO/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)23-17-16-22-14-6-7-15-22/h3-5,8-13H,6-7,14-17H2,1-2H3
InChIKeyOUIDHMRCLSZNME-UHFFFAOYSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine 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-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine (CID 1329134) is 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine is CC(C)(c1ccccc1)c1ccc(OCCN2CCCC2)cc1.
What is the InChIKey of 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine?
The InChIKey is OUIDHMRCLSZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-21(2,18-8-4-3-5-9-18)19-10-12-20(13-11-19)23-17-16-22-14-6-7-15-22/h3-5,8-13H,6-7,14-17H2,1-2H3.
What are the key properties of 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine?
1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-phenylpropan-2-yl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 1329134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).