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

C13H19NO2 — CID 116989297

IUPAC3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
SMILESCCOc1cc(C2CCNC2)ccc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-13-8-10(4-5-12(13)15-2)11-6-7-14-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3
InChIKeyOPDIUMYVGPXPRQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.17
Rot. Bonds4

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

3-(3-ethoxy-4-methoxyphenyl)pyrrolidine (PubChem CID 116989297) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
PubChem CID116989297
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
SMILESCCOc1cc(C2CCNC2)ccc1OC
InChIInChI=1S/C13H19NO2/c1-3-16-13-8-10(4-5-12(13)15-2)11-6-7-14-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3
InChIKeyOPDIUMYVGPXPRQ-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-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
CID 130969820
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
3-(4-but-3-enoxy-3-ethoxyphenyl)piperidine
CID 117100261
2-(2-ethoxy-4-piperidin-3-ylphenoxy)propanamide
CID 117100260
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
3-(3-ethoxyphenyl)pyrrolidine
CID 62064360
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
3-(3-ethoxyphenyl)pyrrolidine;hydrochloride
CID 169498382

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine (CID 116989297) is 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine is CCOc1cc(C2CCNC2)ccc1OC.
What is the InChIKey of 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine?
The InChIKey is OPDIUMYVGPXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-16-13-8-10(4-5-12(13)15-2)11-6-7-14-9-11/h4-5,8,11,14H,3,6-7,9H2,1-2H3.
What are the key properties of 3-(3-ethoxy-4-methoxyphenyl)pyrrolidine?
3-(3-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-(3-ethoxy-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 116989297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).