3-(2-ethoxy-4-methoxyphenyl)pyrrolidine

C13H19NO2 — CID 117316343

IUPAC3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
SMILESCCOc1cc(OC)ccc1C1CCNC1
InChIInChI=1S/C13H19NO2/c1-3-16-13-8-11(15-2)4-5-12(13)10-6-7-14-9-10/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyVCECEBXAJOZKQT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds4

About 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine

3-(2-ethoxy-4-methoxyphenyl)pyrrolidine (PubChem CID 117316343) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
PubChem CID117316343
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
SMILESCCOc1cc(OC)ccc1C1CCNC1
InChIInChI=1S/C13H19NO2/c1-3-16-13-8-11(15-2)4-5-12(13)10-6-7-14-9-10/h4-5,8,10,14H,3,6-7,9H2,1-2H3
InChIKeyVCECEBXAJOZKQT-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
3-(2-bromo-5-methoxyphenyl)pyrrolidine
CID 83730911
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772
4-(5-bromo-2-ethoxy-4-methoxyphenyl)piperidine
CID 117499628
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-(2-chloro-5-methoxyphenoxy)pyrrolidine
CID 84691503
N-[(2,4-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 55172188

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine (CID 117316343) is 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine is CCOc1cc(OC)ccc1C1CCNC1.
What is the InChIKey of 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine?
The InChIKey is VCECEBXAJOZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13-8-11(15-2)4-5-12(13)10-6-7-14-9-10/h4-5,8,10,14H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine?
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine has a molecular weight of 221.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 117316343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).