2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

C22H29NO2 — CID 15896863

IUPAC2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCOc1cccc(CCc2ccccc2OCCC2CCCN2C)c1
InChIInChI=1S/C22H29NO2/c1-23-15-6-9-20(23)14-16-25-22-11-4-3-8-19(22)13-12-18-7-5-10-21(17-18)24-2/h3-5,7-8,10-11,17,20H,6,9,12-16H2,1-2H3
InChIKeyDVSPFNFDMLLSTI-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.34
Rot. Bonds8

About 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine (PubChem CID 15896863) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
PubChem CID15896863
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
SMILESCOc1cccc(CCc2ccccc2OCCC2CCCN2C)c1
InChIInChI=1S/C22H29NO2/c1-23-15-6-9-20(23)14-16-25-22-11-4-3-8-19(22)13-12-18-7-5-10-21(17-18)24-2/h3-5,7-8,10-11,17,20H,6,9,12-16H2,1-2H3
InChIKeyDVSPFNFDMLLSTI-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

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Related Compounds

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
ethyl (2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 10524872
(NE)-N-[(5S)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ylidene]hydroxylamine
CID 101063126
(2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-1-ium chloride
CID 10738261
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] phenyl carbonate
CID 10553785
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] 2,2-dimethylpropanoate;hydrochloride
CID 139719866
2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 20544975
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
CID 57497626
ethyl (2R,4S)-4-hydroxy-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 11796001

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine (CID 15896863) is 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine is COc1cccc(CCc2ccccc2OCCC2CCCN2C)c1.
What is the InChIKey of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
The InChIKey is DVSPFNFDMLLSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-23-15-6-9-20(23)14-16-25-22-11-4-3-8-19(22)13-12-18-7-5-10-21(17-18)24-2/h3-5,7-8,10-11,17,20H,6,9,12-16H2,1-2H3.
What are the key properties of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine?
2-[2-[2-[2-(3-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-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 15896863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).