3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine

C15H21ClN2O — CID 117450926

IUPAC3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
SMILESCN1CCC(Oc2ccc(C3CCCN3)cc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-18-8-6-12(10-18)19-15-5-4-11(9-13(15)16)14-3-2-7-17-14/h4-5,9,12,14,17H,2-3,6-8,10H2,1H3
InChIKeyIAIJTKCRJRENRM-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.85
Rot. Bonds3

About 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine

3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine (PubChem CID 117450926) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
PubChem CID117450926
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
SMILESCN1CCC(Oc2ccc(C3CCCN3)cc2Cl)C1
InChIInChI=1S/C15H21ClN2O/c1-18-8-6-12(10-18)19-15-5-4-11(9-13(15)16)14-3-2-7-17-14/h4-5,9,12,14,17H,2-3,6-8,10H2,1H3
InChIKeyIAIJTKCRJRENRM-UHFFFAOYSA-N
XLogP2.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
CID 117469530
4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]morpholine
CID 117478225
2-[3-chloro-4-(oxolan-3-yloxy)phenyl]piperidine
CID 117452468
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196390
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
(2R)-2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
CID 171195984
O-[[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]hydroxylamine
CID 117395405
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-2-oxoacetic acid
CID 117456013
2-amino-2-[3-chloro-4-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanol
CID 117430111
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine?
The IUPAC name of 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine (CID 117450926) is 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine.
What is the SMILES notation for 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine?
The canonical SMILES for 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine is CN1CCC(Oc2ccc(C3CCCN3)cc2Cl)C1.
What is the InChIKey of 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine?
The InChIKey is IAIJTKCRJRENRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18-8-6-12(10-18)19-15-5-4-11(9-13(15)16)14-3-2-7-17-14/h4-5,9,12,14,17H,2-3,6-8,10H2,1H3.
What are the key properties of 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine?
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine has a molecular weight of 280.80 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine is sourced from PubChem (CID 117450926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).