3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine

C15H20ClNO2 — CID 117452505

IUPAC3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
SMILESCOc1cc(Cl)c(C2CCNC2)cc1OC1CCC1
InChIInChI=1S/C15H20ClNO2/c1-18-14-8-13(16)12(10-5-6-17-9-10)7-15(14)19-11-3-2-4-11/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyZVZISSSRXCAOGN-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.36
Rot. Bonds4

About 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine

3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine (PubChem CID 117452505) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
PubChem CID117452505
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine
SMILESCOc1cc(Cl)c(C2CCNC2)cc1OC1CCC1
InChIInChI=1S/C15H20ClNO2/c1-18-14-8-13(16)12(10-5-6-17-9-10)7-15(14)19-11-3-2-4-11/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyZVZISSSRXCAOGN-UHFFFAOYSA-N
XLogP3.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4,5-dimethoxyphenyl)piperidine
CID 117392623
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)pyrrolidine
CID 117476790
3-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]pyrrolidine
CID 117439944
3-(5-chloro-2-ethyl-4-methoxyphenyl)pyrrolidine
CID 84701649
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
4-(4-chloro-2-methoxy-5-methylphenyl)piperidine
CID 83392391

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine (CID 117452505) is 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine is COc1cc(Cl)c(C2CCNC2)cc1OC1CCC1.
What is the InChIKey of 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine?
The InChIKey is ZVZISSSRXCAOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-18-14-8-13(16)12(10-5-6-17-9-10)7-15(14)19-11-3-2-4-11/h7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine?
3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine has a molecular weight of 281.78 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 117452505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).