1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine

C14H20ClNO — CID 869237

IUPAC1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine
SMILESCc1cc(C)c(OCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11-9-12(2)14(13(15)10-11)17-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3
InChIKeyZYOMWRIOGWKUCN-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.43
Rot. Bonds4

About 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine

1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine (PubChem CID 869237) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine
PubChem CID869237
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine
SMILESCc1cc(C)c(OCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO/c1-11-9-12(2)14(13(15)10-11)17-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3
InChIKeyZYOMWRIOGWKUCN-UHFFFAOYSA-N
XLogP3.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,6-Dimethylphenoxy)ethyl]pyrrolidine
CID 868345
1-[2-(2-Chloro-6-methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847238
[2-(2-Chloro-4,6-dimethylphenoxy)ethyl]dimethylamine oxalate
CID 2934973
4-[5-(2-Chloro-4-methylphenoxy)pentyl]morpholine
CID 4141331
1-{2-[4-(3-Chloro-benzyl)-phenoxy]-ethyl}-pyrrolidine
CID 10519454
4-[2-(2-Chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
1-(2-(2,4-Dichloro-6-methylphenoxy)ethyl)pyrrolidine
CID 869435
4-[4-(4-Chloro-2,6-dimethylphenoxy)butyl]morpholine
CID 2248084
1-[2-(4-Benzyl-2-chloro-phenoxy)-ethyl]-pyrrolidine
CID 10852867
2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine
CID 867184
Phenethylamine, beta-(sec-butyl)-3-chloro-N,N-dimethyl-4-ethoxy-
CID 214144
2-(3-Chloro-4-propoxyphenyl)-N,N,3-trimethylpentan-1-amine
CID 214147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine (CID 869237) is 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine is Cc1cc(C)c(OCCN2CCCC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine?
The InChIKey is ZYOMWRIOGWKUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-11-9-12(2)14(13(15)10-11)17-8-7-16-5-3-4-6-16/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine?
1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 869237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).