3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine

C14H21NO2 — CID 90993861

IUPAC3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
SMILESCCOc1c(OC)cccc1C1(C)CCNC1
InChIInChI=1S/C14H21NO2/c1-4-17-13-11(6-5-7-12(13)16-3)14(2)8-9-15-10-14/h5-7,15H,4,8-10H2,1-3H3
InChIKeyAQEFFQIWYJKRRG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds4

About 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine

3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine (PubChem CID 90993861) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
PubChem CID90993861
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine
SMILESCCOc1c(OC)cccc1C1(C)CCNC1
InChIInChI=1S/C14H21NO2/c1-4-17-13-11(6-5-7-12(13)16-3)14(2)8-9-15-10-14/h5-7,15H,4,8-10H2,1-3H3
InChIKeyAQEFFQIWYJKRRG-UHFFFAOYSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
3-(5-bromo-2-methoxyphenyl)-3-methylpyrrolidine
CID 83693943
3-(2-bromophenyl)-3-methylpyrrolidine
CID 62354169
3-(2-methoxyphenyl)-3,5,5-trimethylpiperidine
CID 82290208
4-(2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 82290945
3-methoxy-3-(2-methoxyphenyl)piperidine
CID 83822639
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
2-bromo-1-(2-ethoxy-3-methoxyphenyl)propan-1-one
CID 134618688
1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
CID 11551348
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
1-(3-ethoxy-2-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 105475572

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine?
The IUPAC name of 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine (CID 90993861) is 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine.
What is the SMILES notation for 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine?
The canonical SMILES for 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine is CCOc1c(OC)cccc1C1(C)CCNC1.
What is the InChIKey of 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine?
The InChIKey is AQEFFQIWYJKRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-13-11(6-5-7-12(13)16-3)14(2)8-9-15-10-14/h5-7,15H,4,8-10H2,1-3H3.
What are the key properties of 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine?
3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-3-methoxyphenyl)-3-methylpyrrolidine is sourced from PubChem (CID 90993861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).