1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine

C14H19Cl2NO2 — CID 2581947

IUPAC1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
SMILESClc1ccc(OCCOCCN2CCCC2)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c15-13-4-3-12(11-14(13)16)19-10-9-18-8-7-17-5-1-2-6-17/h3-4,11H,1-2,5-10H2
InChIKeyIAGIBINJWTWUBV-UHFFFAOYSA-N
MW304.22 g/mol
LogP3.48
Rot. Bonds7

About 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine

1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine (PubChem CID 2581947) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
PubChem CID2581947
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine
SMILESClc1ccc(OCCOCCN2CCCC2)cc1Cl
InChIInChI=1S/C14H19Cl2NO2/c15-13-4-3-12(11-14(13)16)19-10-9-18-8-7-17-5-1-2-6-17/h3-4,11H,1-2,5-10H2
InChIKeyIAGIBINJWTWUBV-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(3-chlorophenoxy)ethoxy]ethyl]piperidine
CID 2245896
1-[2-(2-naphthalen-2-yloxyethoxy)ethyl]pyrrolidine
CID 2246231
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
2-chloro-4-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910973
4-[2-(3,4-dichlorophenoxy)ethyl]-1-(5-piperidin-1-ylpentyl)piperidine
CID 57295773
1-[6-(3,4-dichlorophenoxy)-4-methylhexyl]piperidine;hydrochloride
CID 67440191
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
1-[2-(3,4-dichlorophenoxy)ethyl]piperidine-4-carbonitrile
CID 39420280
1-[3-(4-chloro-3-phenylphenoxy)propyl]pyrrolidine
CID 91053394
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
[2-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553243
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine (CID 2581947) is 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine is Clc1ccc(OCCOCCN2CCCC2)cc1Cl.
What is the InChIKey of 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine?
The InChIKey is IAGIBINJWTWUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO2/c15-13-4-3-12(11-14(13)16)19-10-9-18-8-7-17-5-1-2-6-17/h3-4,11H,1-2,5-10H2.
What are the key properties of 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine?
1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine has a molecular weight of 304.22 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3,4-dichlorophenoxy)ethoxy]ethyl]pyrrolidine is sourced from PubChem (CID 2581947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).