2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine

C21H27NO — CID 69304203

IUPAC2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-21(18-10-5-3-6-11-18,19-12-7-4-8-13-19)23-17-15-20-14-9-16-22(20)2/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKeyANECFXQIQFWAOD-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.45
Rot. Bonds6

About 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine

2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine (PubChem CID 69304203) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
PubChem CID69304203
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine
SMILESCN1CCCC1CCOC(C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-21(18-10-5-3-6-11-18,19-12-7-4-8-13-19)23-17-15-20-14-9-16-22(20)2/h3-8,10-13,20H,9,14-17H2,1-2H3
InChIKeyANECFXQIQFWAOD-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

but-2-enedioic acid;2-[2-[1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-1-methylpyrrolidine
CID 53394933
2-(1-methylpyrrolidin-2-yl)ethyl 2,2-diphenylpropanoate
CID 45267220
(2R)-2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl]-2-deuterio-1-methylpyrrolidine
CID 91433359
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
2-[2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]-1,1,2,2-tetradeuterioethyl]-1-(trideuteriomethyl)pyrrolidine
CID 87619465
3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
1-methyl-2-[2-(2-methylphenoxy)ethyl]pyrrolidine
CID 23339324
N-[2-(1-methylpyrrolidin-2-yl)ethyl]pyridin-2-amine
CID 141285669
(2S)-1-methyl-2-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine
CID 146334915
1-N-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenylpropane-1,2-diamine
CID 79319905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine?
The IUPAC name of 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine (CID 69304203) is 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine?
The canonical SMILES for 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine is CN1CCCC1CCOC(C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine?
The InChIKey is ANECFXQIQFWAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-21(18-10-5-3-6-11-18,19-12-7-4-8-13-19)23-17-15-20-14-9-16-22(20)2/h3-8,10-13,20H,9,14-17H2,1-2H3.
What are the key properties of 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine?
2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine has a molecular weight of 309.45 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-diphenylethoxy)ethyl]-1-methylpyrrolidine is sourced from PubChem (CID 69304203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).