2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine

C16H21Cl2NO2 — CID 70520039

IUPAC2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C16H21Cl2NO2/c1-4-7-19-8-5-6-14(19)11(2)21-15-10-12(17)9-13(18)16(15)20-3/h4,9-11,14H,1,5-8H2,2-3H3
InChIKeyABHSXUWKDGKMBS-UHFFFAOYSA-N
MW330.26 g/mol
LogP4.42
Rot. Bonds6

About 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine

2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine (PubChem CID 70520039) has the molecular formula C16H21Cl2NO2 and a molecular weight of 330.26 g/mol. Its IUPAC name is 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
PubChem CID70520039
Molecular FormulaC16H21Cl2NO2
Molecular Weight330.26 g/mol
Exact Mass329.09
IUPAC Name2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C16H21Cl2NO2/c1-4-7-19-8-5-6-14(19)11(2)21-15-10-12(17)9-13(18)16(15)20-3/h4,9-11,14H,1,5-8H2,2-3H3
InChIKeyABHSXUWKDGKMBS-UHFFFAOYSA-N
XLogP4.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
The IUPAC name of 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine (CID 70520039) is 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine is C=CCN1CCCC1C(C)Oc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
The InChIKey is ABHSXUWKDGKMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO2/c1-4-7-19-8-5-6-14(19)11(2)21-15-10-12(17)9-13(18)16(15)20-3/h4,9-11,14H,1,5-8H2,2-3H3.
What are the key properties of 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine?
2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine has a molecular weight of 330.26 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 70520039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).