2-[3-(2-chlorophenoxy)propyl]pyrrolidine

C13H18ClNO — CID 62478542

IUPAC2-[3-(2-chlorophenoxy)propyl]pyrrolidine
SMILESClc1ccccc1OCCCC1CCCN1
InChIInChI=1S/C13H18ClNO/c14-12-7-1-2-8-13(12)16-10-4-6-11-5-3-9-15-11/h1-2,7-8,11,15H,3-6,9-10H2
InChIKeyREAXDMLCVZQTEC-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.25
Rot. Bonds5

About 2-[3-(2-chlorophenoxy)propyl]pyrrolidine

2-[3-(2-chlorophenoxy)propyl]pyrrolidine (PubChem CID 62478542) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-[3-(2-chlorophenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(2-chlorophenoxy)propyl]pyrrolidine
PubChem CID62478542
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name2-[3-(2-chlorophenoxy)propyl]pyrrolidine
SMILESClc1ccccc1OCCCC1CCCN1
InChIInChI=1S/C13H18ClNO/c14-12-7-1-2-8-13(12)16-10-4-6-11-5-3-9-15-11/h1-2,7-8,11,15H,3-6,9-10H2
InChIKeyREAXDMLCVZQTEC-UHFFFAOYSA-N
XLogP3.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-bromo-4-chlorophenoxy)propyl]pyrrolidine
CID 55076617
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
2-[3-(2,4,6-trichlorophenoxy)propyl]pyrrolidine
CID 62479611
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 23339323
(2S)-2-[2-(2,5-dichlorophenoxy)ethyl]piperidine
CID 28749903
1-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978835
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-[2-(2-phenylphenoxy)ethyl]piperidine
CID 43149968
2-[2-[2-(5-phenylpentyl)phenoxy]ethyl]pyrrolidine
CID 142647232
(2S)-2-[2-(4-bromo-2-chlorophenoxy)ethyl]piperidine
CID 86320949
(2R)-2-[(2,6-dichlorophenoxy)methyl]pyrrolidine
CID 102820117
4-methyl-3-(3-pyrrolidin-2-ylpropoxy)benzonitrile
CID 107658250

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenoxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(2-chlorophenoxy)propyl]pyrrolidine (CID 62478542) is 2-[3-(2-chlorophenoxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(2-chlorophenoxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(2-chlorophenoxy)propyl]pyrrolidine is Clc1ccccc1OCCCC1CCCN1.
What is the InChIKey of 2-[3-(2-chlorophenoxy)propyl]pyrrolidine?
The InChIKey is REAXDMLCVZQTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c14-12-7-1-2-8-13(12)16-10-4-6-11-5-3-9-15-11/h1-2,7-8,11,15H,3-6,9-10H2.
What are the key properties of 2-[3-(2-chlorophenoxy)propyl]pyrrolidine?
2-[3-(2-chlorophenoxy)propyl]pyrrolidine has a molecular weight of 239.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenoxy)propyl]pyrrolidine is sourced from PubChem (CID 62478542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).