2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine

C20H25NO2 — CID 54181155

IUPAC2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
SMILESCOc1ccc(OC(CC2CCCN2C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-21-14-6-9-17(21)15-20(16-7-4-3-5-8-16)23-19-12-10-18(22-2)11-13-19/h3-5,7-8,10-13,17,20H,6,9,14-15H2,1-2H3
InChIKeyPBWUDTXLRBHNCW-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.30
Rot. Bonds6

About 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine

2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine (PubChem CID 54181155) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
PubChem CID54181155
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine
SMILESCOc1ccc(OC(CC2CCCN2C)c2ccccc2)cc1
InChIInChI=1S/C20H25NO2/c1-21-14-6-9-17(21)15-20(16-7-4-3-5-8-16)23-19-12-10-18(22-2)11-13-19/h3-5,7-8,10-13,17,20H,6,9,14-15H2,1-2H3
InChIKeyPBWUDTXLRBHNCW-UHFFFAOYSA-N
XLogP4.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-dimethoxyphenoxy)-2-phenylethyl]-1-methylpiperidine
CID 23339220
1-methyl-2-[2-phenyl-2-[4-(trifluoromethylsulfanyl)phenoxy]ethyl]pyrrolidine
CID 57037717
[4-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54137242
2-[2-(2-chlorophenoxy)-2-phenylethyl]-1-methylpiperidine
CID 54501628
6-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 21287349
(2S)-2-[(2S)-2-(methoxymethoxy)-2-phenylethyl]-1-methylpiperidine
CID 11708725
[(1S)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethyl] acetate
CID 90475439
(1R)-1-(3-methoxyphenyl)-2-[(2R)-1-methylpyrrolidin-2-yl]ethanol;hydrochloride
CID 70591371
[2-[2-(1-methylpiperidin-2-yl)-1-phenylethoxy]phenyl] acetate
CID 54224947
(2R)-2-[(4-methoxyphenyl)methoxymethyl]-1-methylpyrrolidine
CID 143472093
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
(2S)-2-[2-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]-1-methylpyrrolidine
CID 101001528

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine (CID 54181155) is 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine is COc1ccc(OC(CC2CCCN2C)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine?
The InChIKey is PBWUDTXLRBHNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-21-14-6-9-17(21)15-20(16-7-4-3-5-8-16)23-19-12-10-18(22-2)11-13-19/h3-5,7-8,10-13,17,20H,6,9,14-15H2,1-2H3.
What are the key properties of 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine?
2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine has a molecular weight of 311.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)-2-phenylethyl]-1-methylpyrrolidine is sourced from PubChem (CID 54181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).