2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine

C13H16Cl3NO — CID 62479611

IUPAC2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine
SMILESClc1cc(Cl)c(OCCCC2CCCN2)c(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c14-9-7-11(15)13(12(16)8-9)18-6-2-4-10-3-1-5-17-10/h7-8,10,17H,1-6H2
InChIKeyGZPJCCYIANXPEO-UHFFFAOYSA-N
MW308.64 g/mol
LogP4.56
Rot. Bonds5

About 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine

2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine (PubChem CID 62479611) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine
PubChem CID62479611
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine
SMILESClc1cc(Cl)c(OCCCC2CCCN2)c(Cl)c1
InChIInChI=1S/C13H16Cl3NO/c14-9-7-11(15)13(12(16)8-9)18-6-2-4-10-3-1-5-17-10/h7-8,10,17H,1-6H2
InChIKeyGZPJCCYIANXPEO-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
2-[3-(2-chlorophenoxy)propyl]pyrrolidine
CID 62478542
3,5-dichloro-2-(2-piperidin-2-ylethoxy)pyridine
CID 57061640
2-[3-(3-chloro-4-nitrophenoxy)propyl]pyrrolidine
CID 62478362
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]pyrrolidine
CID 55076470
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
2-[3-(4-tert-butylphenoxy)propyl]pyrrolidine
CID 62479956
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
CID 71638609
4-methyl-3-(3-pyrrolidin-2-ylpropoxy)benzonitrile
CID 107658250
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
2-[3-(4-propylphenoxy)propyl]pyrrolidine
CID 62548215

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine (CID 62479611) is 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine is Clc1cc(Cl)c(OCCCC2CCCN2)c(Cl)c1.
What is the InChIKey of 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine?
The InChIKey is GZPJCCYIANXPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c14-9-7-11(15)13(12(16)8-9)18-6-2-4-10-3-1-5-17-10/h7-8,10,17H,1-6H2.
What are the key properties of 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine?
2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine has a molecular weight of 308.64 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine is sourced from PubChem (CID 62479611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).