2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride

C15H22Cl3NO2 — CID 70454744

IUPAC2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride
SMILESCCN1CCCC1CCOc1cc(Cl)cc(Cl)c1OC.Cl
InChIInChI=1S/C15H21Cl2NO2.ClH/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyMWFCGPKABKLWSH-UHFFFAOYSA-N
MW354.71 g/mol
LogP4.68
Rot. Bonds6

About 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride

2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride (PubChem CID 70454744) has the molecular formula C15H22Cl3NO2 and a molecular weight of 354.71 g/mol. Its IUPAC name is 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride
PubChem CID70454744
Molecular FormulaC15H22Cl3NO2
Molecular Weight354.71 g/mol
Exact Mass353.07
IUPAC Name2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride
SMILESCCN1CCCC1CCOc1cc(Cl)cc(Cl)c1OC.Cl
InChIInChI=1S/C15H21Cl2NO2.ClH/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2;/h9-10,12H,3-8H2,1-2H3;1H
InChIKeyMWFCGPKABKLWSH-UHFFFAOYSA-N
XLogP4.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.71
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,4-dichlorophenoxy)propyl]-N-methylbuta-2,3-dien-1-amine
CID 44265560
Propylamine, 3-(3,5-dichloro-2-methoxyphenoxy)-N,N-diethyl-
CID 212718
(2R)-1-(2,4-dichlorophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 1080081
5-(2-(3,5-Dichloro-2-methoxyphenoxy)ethyl)-1-ethyl-3,4-dihydro-2H-pyrrol-1-ium chloride
CID 24845428
(+)-2-(2-(3,5-Dichloro-2-methoxyphenoxy)ethyl)-1-ethylpyrrolidinium hydrochloride
CID 24845430
(1)-2-(2-(3,5-Dichloro-2-methoxyphenoxy)ethyl)-1-ethylpyrrolidinium chloride
CID 24845431
1-(2,4-Dichlorophenoxy)-3-(1-pyrrolidinyl)-2-propanol
CID 259462
2-[2-(3,5-Dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidin-1-ium chloride
CID 16205337
Cambridge id 6894698
CID 2918178
1-[Cyclohexyl(ethyl)amino]-3-(2,4-dichlorophenoxy)-2-propanol hydrochloride
CID 2918179
1-Butyl-1-methylpyrrolidin-1-ium;2-(2,4-dichlorophenoxy)acetate
CID 76323791
(+)-2-(2-(3,5-Dichloro-2-methoxyphenoxy)ethyl)-1-ethylpyrrolidine
CID 13647237

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride?
The IUPAC name of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride (CID 70454744) is 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride.
What is the SMILES notation for 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride?
The canonical SMILES for 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride is CCN1CCCC1CCOc1cc(Cl)cc(Cl)c1OC.Cl.
What is the InChIKey of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride?
The InChIKey is MWFCGPKABKLWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2.ClH/c1-3-18-7-4-5-12(18)6-8-20-14-10-11(16)9-13(17)15(14)19-2;/h9-10,12H,3-8H2,1-2H3;1H.
What are the key properties of 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride?
2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride has a molecular weight of 354.71 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-ethylpyrrolidine;hydrochloride is sourced from PubChem (CID 70454744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).