2-[4-(oxan-4-yloxy)phenyl]pyrrolidine

C15H21NO2 — CID 115004800

IUPAC2-[4-(oxan-4-yloxy)phenyl]pyrrolidine
SMILESc1cc(C2CCCN2)ccc1OC1CCOCC1
InChIInChI=1S/C15H21NO2/c1-2-15(16-9-1)12-3-5-13(6-4-12)18-14-7-10-17-11-8-14/h3-6,14-16H,1-2,7-11H2
InChIKeyMJYDGVBAJYPYAZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.67
Rot. Bonds3

About 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine

2-[4-(oxan-4-yloxy)phenyl]pyrrolidine (PubChem CID 115004800) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-(oxan-4-yloxy)phenyl]pyrrolidine
PubChem CID115004800
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[4-(oxan-4-yloxy)phenyl]pyrrolidine
SMILESc1cc(C2CCCN2)ccc1OC1CCOCC1
InChIInChI=1S/C15H21NO2/c1-2-15(16-9-1)12-3-5-13(6-4-12)18-14-7-10-17-11-8-14/h3-6,14-16H,1-2,7-11H2
InChIKeyMJYDGVBAJYPYAZ-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-pyrrolidin-2-ylphenoxy)thietane 1,1-dioxide
CID 117421883
(2S)-2-(4-propan-2-yloxyphenyl)pyrrolidine
CID 66518885
2-[4-(thian-3-yloxy)phenyl]piperidine
CID 117445021
4-phenoxyoxane
CID 58483739
trimethyl-[4-[(2S)-piperidin-2-yl]phenoxy]silane
CID 171195003
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468
1-[4-(oxan-4-yloxy)phenyl]-1,4-diazepane
CID 63936915
2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253
lithium 4-(phenoxy)oxane
CID 134892153

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine?
The IUPAC name of 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine (CID 115004800) is 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine.
What is the SMILES notation for 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine?
The canonical SMILES for 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine is c1cc(C2CCCN2)ccc1OC1CCOCC1.
What is the InChIKey of 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine?
The InChIKey is MJYDGVBAJYPYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(16-9-1)12-3-5-13(6-4-12)18-14-7-10-17-11-8-14/h3-6,14-16H,1-2,7-11H2.
What are the key properties of 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine?
2-[4-(oxan-4-yloxy)phenyl]pyrrolidine has a molecular weight of 247.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yloxy)phenyl]pyrrolidine is sourced from PubChem (CID 115004800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).