2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine

C14H19Cl2NO — CID 23318303

IUPAC2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
SMILESCCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-3-17-6-4-5-14(17)10(2)18-13-8-11(15)7-12(16)9-13/h7-10,14H,3-6H2,1-2H3
InChIKeyQMHPKHPXTAEHLD-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.24
Rot. Bonds4

About 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine

2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine (PubChem CID 23318303) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine.

Molecular Properties

Compound Name2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
PubChem CID23318303
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
SMILESCCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-3-17-6-4-5-14(17)10(2)18-13-8-11(15)7-12(16)9-13/h7-10,14H,3-6H2,1-2H3
InChIKeyQMHPKHPXTAEHLD-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177010106
1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
CID 23318292
1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
ethane;ethyl 2-(chloromethyl)-4-[1-(1-ethylpiperidin-2-yl)ethoxy]benzoate
CID 156792010
5-[1-(1-ethylpiperidin-2-yl)ethoxy]-1,3-dihydro-2-benzofuran-1-ol
CID 174196346
2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
CID 70520039
5-[(1R)-1-(1-ethylpiperidin-2-yl)ethoxy]-3H-2-benzofuran-1-one
CID 156500867
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine
CID 70513247
1-[6-[1-(1-ethylpiperidin-2-yl)ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769783
(4-benzylphenoxy)-(1-ethylpyrrolidin-2-yl)methanol
CID 67649751
2-(3,5-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
The IUPAC name of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine (CID 23318303) is 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine.
What is the SMILES notation for 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
The canonical SMILES for 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine is CCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
The InChIKey is QMHPKHPXTAEHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-3-17-6-4-5-14(17)10(2)18-13-8-11(15)7-12(16)9-13/h7-10,14H,3-6H2,1-2H3.
What are the key properties of 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine?
2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine has a molecular weight of 288.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine is sourced from PubChem (CID 23318303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).