4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine

C18H21ClN2O — CID 167766105

IUPAC4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
SMILESCc1cnccc1CCN1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C18H21ClN2O/c1-14-12-20-9-6-15(14)7-10-21-11-8-16(13-21)22-18-5-3-2-4-17(18)19/h2-6,9,12,16H,7-8,10-11,13H2,1H3
InChIKeyNRFYHTKBVDNTBF-UHFFFAOYSA-N
MW316.83 g/mol
LogP3.74
Rot. Bonds5

About 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine

4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine (PubChem CID 167766105) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine.

Molecular Properties

Compound Name4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
PubChem CID167766105
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine
SMILESCc1cnccc1CCN1CCC(Oc2ccccc2Cl)C1
InChIInChI=1S/C18H21ClN2O/c1-14-12-20-9-6-15(14)7-10-21-11-8-16(13-21)22-18-5-3-2-4-17(18)19/h2-6,9,12,16H,7-8,10-11,13H2,1H3
InChIKeyNRFYHTKBVDNTBF-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine 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 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine?
The IUPAC name of 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine (CID 167766105) is 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine.
What is the SMILES notation for 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine?
The canonical SMILES for 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine is Cc1cnccc1CCN1CCC(Oc2ccccc2Cl)C1.
What is the InChIKey of 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine?
The InChIKey is NRFYHTKBVDNTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-14-12-20-9-6-15(14)7-10-21-11-8-16(13-21)22-18-5-3-2-4-17(18)19/h2-6,9,12,16H,7-8,10-11,13H2,1H3.
What are the key properties of 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine?
4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine has a molecular weight of 316.83 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(2-chlorophenoxy)pyrrolidin-1-yl]ethyl]-3-methylpyridine is sourced from PubChem (CID 167766105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).