3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine

C21H24ClNO2 — CID 121430055

IUPAC3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
SMILESC=Cc1cccc(OCCN2CCC(C)(Oc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClNO2/c1-3-17-5-4-6-20(15-17)24-14-13-23-12-11-21(2,16-23)25-19-9-7-18(22)8-10-19/h3-10,15H,1,11-14,16H2,2H3
InChIKeyORWAQVYUFONBQB-UHFFFAOYSA-N
MW357.88 g/mol
LogP4.91
Rot. Bonds7

About 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine

3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine (PubChem CID 121430055) has the molecular formula C21H24ClNO2 and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
PubChem CID121430055
Molecular FormulaC21H24ClNO2
Molecular Weight357.88 g/mol
Exact Mass357.15
IUPAC Name3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine
SMILESC=Cc1cccc(OCCN2CCC(C)(Oc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C21H24ClNO2/c1-3-17-5-4-6-20(15-17)24-14-13-23-12-11-21(2,16-23)25-19-9-7-18(22)8-10-19/h3-10,15H,1,11-14,16H2,2H3
InChIKeyORWAQVYUFONBQB-UHFFFAOYSA-N
XLogP4.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.88
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 121418539
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
CID 176891275
1-(2-bromoethoxy)-4-chlorobenzene;3-(4-chlorophenoxy)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine;3-(4-chlorophenoxy)-3-methylpyrrolidine
CID 158289546
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
[1-[2-(3-chlorophenoxy)ethyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120773591
1-[2-(2-ethenylphenoxy)ethyl]-4-methyl-4-phenoxypiperidine
CID 121429936
2-methyl-6-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107872
1-(2-bromoethoxy)-2-fluorobenzene;3-(4-chlorophenoxy)-1-[2-(2-fluorophenoxy)ethyl]-3-methylpyrrolidine;3-(4-chlorophenoxy)-3-methylpyrrolidine
CID 160904736
3-(2-chlorophenoxy)-3-methyl-1-(2-phenoxyethyl)piperidine
CID 121418378
1-ethenyl-3-(1-methylcyclopentyl)oxybenzene
CID 18762125
4-(4-chlorophenoxy)-1-[2-(5-fluoro-2-methoxyphenoxy)ethyl]-4-methylpiperidine
CID 121418386
ethane;3-methoxy-4-[3-methyl-1-(2-phenoxyethyl)pyrrolidin-3-yl]oxyaniline
CID 145107874

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine?
The IUPAC name of 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine (CID 121430055) is 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine?
The canonical SMILES for 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine is C=Cc1cccc(OCCN2CCC(C)(Oc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine?
The InChIKey is ORWAQVYUFONBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO2/c1-3-17-5-4-6-20(15-17)24-14-13-23-12-11-21(2,16-23)25-19-9-7-18(22)8-10-19/h3-10,15H,1,11-14,16H2,2H3.
What are the key properties of 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine?
3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine has a molecular weight of 357.88 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-[2-(3-ethenylphenoxy)ethyl]-3-methylpyrrolidine is sourced from PubChem (CID 121430055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).