2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

C22H29NO2 — CID 10499737

IUPAC2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCOc1ccccc1CCc1ccccc1OCCC1CCCN1C
InChIInChI=1S/C22H29NO2/c1-23-16-7-10-20(23)15-17-25-22-12-6-4-9-19(22)14-13-18-8-3-5-11-21(18)24-2/h3-6,8-9,11-12,20H,7,10,13-17H2,1-2H3
InChIKeyRFPLNJVSPATMJO-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.34
Rot. Bonds8

About 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine (PubChem CID 10499737) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
PubChem CID10499737
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCOc1ccccc1CCc1ccccc1OCCC1CCCN1C
InChIInChI=1S/C22H29NO2/c1-23-16-7-10-20(23)15-17-25-22-12-6-4-9-19(22)14-13-18-8-3-5-11-21(18)24-2/h3-6,8-9,11-12,20H,7,10,13-17H2,1-2H3
InChIKeyRFPLNJVSPATMJO-UHFFFAOYSA-N
XLogP4.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine 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

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
1-[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913183
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 107911041
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038
1-methyl-2-[2-(2-methylsulfanylphenoxy)ethyl]pyrrolidine
CID 23339554
2-[2-(2-cyclohexyloxyphenoxy)ethyl]-1-methylpyrrolidine
CID 23339385
2-methyl-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethoxy]pyridine
CID 70084803
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[2-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine
CID 75030496

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine (CID 10499737) is 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine is COc1ccccc1CCc1ccccc1OCCC1CCCN1C.
What is the InChIKey of 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The InChIKey is RFPLNJVSPATMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-23-16-7-10-20(23)15-17-25-22-12-6-4-9-19(22)14-13-18-8-3-5-11-21(18)24-2/h3-6,8-9,11-12,20H,7,10,13-17H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine has a molecular weight of 339.48 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 10499737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).