2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine

C15H21ClN2O2 — CID 117478268

IUPAC2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
SMILESCOc1cc(Cl)cc(C2CCCN2)c1OC1CN(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-18-8-11(9-18)20-15-12(13-4-3-5-17-13)6-10(16)7-14(15)19-2/h6-7,11,13,17H,3-5,8-9H2,1-2H3
InChIKeyMVLPLQVHLWXSTK-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.47
Rot. Bonds4

About 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine

2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine (PubChem CID 117478268) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine.

Molecular Properties

Compound Name2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
PubChem CID117478268
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine
SMILESCOc1cc(Cl)cc(C2CCCN2)c1OC1CN(C)C1
InChIInChI=1S/C15H21ClN2O2/c1-18-8-11(9-18)20-15-12(13-4-3-5-17-13)6-10(16)7-14(15)19-2/h6-7,11,13,17H,3-5,8-9H2,1-2H3
InChIKeyMVLPLQVHLWXSTK-UHFFFAOYSA-N
XLogP2.47
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117494554
2-[3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]piperidine
CID 117443056
2-(5-chloro-2-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117387937
2-(2,5-dichloro-3-methoxyphenyl)piperidine
CID 117404132
2-(3,5-dichloro-2-methoxyphenyl)piperidine
CID 82301361
1-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanol
CID 117432342
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]ethanamine
CID 117430106
2-(3-chloro-2-fluoro-4,5-dimethoxyphenyl)pyrrolidine
CID 117403491
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
5-chloro-2-methoxy-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66519127
(2S)-2-(2-chloro-3,4-dimethoxyphenyl)pyrrolidine
CID 66519603
7-methoxy-1,4-dimethyl-2-pyrrolidin-2-ylindole
CID 84631565

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine?
The IUPAC name of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine (CID 117478268) is 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine.
What is the SMILES notation for 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine?
The canonical SMILES for 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine is COc1cc(Cl)cc(C2CCCN2)c1OC1CN(C)C1.
What is the InChIKey of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine?
The InChIKey is MVLPLQVHLWXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18-8-11(9-18)20-15-12(13-4-3-5-17-13)6-10(16)7-14(15)19-2/h6-7,11,13,17H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine?
2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine has a molecular weight of 296.80 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-methoxy-2-(1-methylazetidin-3-yl)oxyphenyl]pyrrolidine is sourced from PubChem (CID 117478268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).