1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine

C17H23Cl2NO2 — CID 23318292

IUPAC1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1c(Cl)cc(Cl)cc1OC(C)C1CCCN1CC1CC1
InChIInChI=1S/C17H23Cl2NO2/c1-11(15-4-3-7-20(15)10-12-5-6-12)22-16-9-13(18)8-14(19)17(16)21-2/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyILQJXJUOOVQUAR-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.64
Rot. Bonds6

About 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine

1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine (PubChem CID 23318292) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
PubChem CID23318292
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine
SMILESCOc1c(Cl)cc(Cl)cc1OC(C)C1CCCN1CC1CC1
InChIInChI=1S/C17H23Cl2NO2/c1-11(15-4-3-7-20(15)10-12-5-6-12)22-16-9-13(18)8-14(19)17(16)21-2/h8-9,11-12,15H,3-7,10H2,1-2H3
InChIKeyILQJXJUOOVQUAR-UHFFFAOYSA-N
XLogP4.64
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine (CID 23318292) is 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine is COc1c(Cl)cc(Cl)cc1OC(C)C1CCCN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine?
The InChIKey is ILQJXJUOOVQUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-11(15-4-3-7-20(15)10-12-5-6-12)22-16-9-13(18)8-14(19)17(16)21-2/h8-9,11-12,15H,3-7,10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine?
1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine has a molecular weight of 344.28 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 23318292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).