1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine

C17H23Cl2NO2 — CID 70513247

IUPAC1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine
SMILESCOC(CC1CCCN1CC1CC1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H23Cl2NO2/c1-21-17(22-16-8-13(18)7-14(19)9-16)10-15-3-2-6-20(15)11-12-4-5-12/h7-9,12,15,17H,2-6,10-11H2,1H3
InChIKeyOQEGGGUBPXPTNX-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.61
Rot. Bonds7

About 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine

1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine (PubChem CID 70513247) has the molecular formula C17H23Cl2NO2 and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine
PubChem CID70513247
Molecular FormulaC17H23Cl2NO2
Molecular Weight344.28 g/mol
Exact Mass343.11
IUPAC Name1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine
SMILESCOC(CC1CCCN1CC1CC1)Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H23Cl2NO2/c1-21-17(22-16-8-13(18)7-14(19)9-16)10-15-3-2-6-20(15)11-12-4-5-12/h7-9,12,15,17H,2-6,10-11H2,1H3
InChIKeyOQEGGGUBPXPTNX-UHFFFAOYSA-N
XLogP4.61
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine?
The IUPAC name of 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine (CID 70513247) is 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine?
The canonical SMILES for 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine is COC(CC1CCCN1CC1CC1)Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine?
The InChIKey is OQEGGGUBPXPTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO2/c1-21-17(22-16-8-13(18)7-14(19)9-16)10-15-3-2-6-20(15)11-12-4-5-12/h7-9,12,15,17H,2-6,10-11H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine?
1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine has a molecular weight of 344.28 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-2-[2-(3,5-dichlorophenoxy)-2-methoxyethyl]pyrrolidine is sourced from PubChem (CID 70513247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).