1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine

C14H18ClNO — CID 59327262

IUPAC1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine
SMILESC=Cc1ccc(Cl)cc1OCCN1CCCC1
InChIInChI=1S/C14H18ClNO/c1-2-12-5-6-13(15)11-14(12)17-10-9-16-7-3-4-8-16/h2,5-6,11H,1,3-4,7-10H2
InChIKeyJGLATWJUPJGIBS-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.46
Rot. Bonds5

About 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine

1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine (PubChem CID 59327262) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine
PubChem CID59327262
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine
SMILESC=Cc1ccc(Cl)cc1OCCN1CCCC1
InChIInChI=1S/C14H18ClNO/c1-2-12-5-6-13(15)11-14(12)17-10-9-16-7-3-4-8-16/h2,5-6,11H,1,3-4,7-10H2
InChIKeyJGLATWJUPJGIBS-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-2-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 55179828
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CID 803399
1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine
CID 869320
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109
1-[2-(3-ethenylphenoxy)ethyl]pyrrolidine
CID 176891275
4-fluoro-3-(2-piperidin-1-ylethoxy)aniline
CID 139983014
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
[4-chloro-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 114322345

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine (CID 59327262) is 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine is C=Cc1ccc(Cl)cc1OCCN1CCCC1.
What is the InChIKey of 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine?
The InChIKey is JGLATWJUPJGIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-2-12-5-6-13(15)11-14(12)17-10-9-16-7-3-4-8-16/h2,5-6,11H,1,3-4,7-10H2.
What are the key properties of 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine?
1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine has a molecular weight of 251.76 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2-ethenylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 59327262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).