3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine

C15H23NO — CID 55063190

IUPAC3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
SMILESCCOc1ccc(C2(C)CCNC2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-5-17-13-8-6-12(7-9-13)15(4)10-11-16-14(15,2)3/h6-9,16H,5,10-11H2,1-4H3
InChIKeyUSKUWELHMKJDNF-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.11
Rot. Bonds3

About 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine

3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine (PubChem CID 55063190) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
PubChem CID55063190
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine
SMILESCCOc1ccc(C2(C)CCNC2(C)C)cc1
InChIInChI=1S/C15H23NO/c1-5-17-13-8-6-12(7-9-13)15(4)10-11-16-14(15,2)3/h6-9,16H,5,10-11H2,1-4H3
InChIKeyUSKUWELHMKJDNF-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine?
The IUPAC name of 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine (CID 55063190) is 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine?
The canonical SMILES for 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine is CCOc1ccc(C2(C)CCNC2(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine?
The InChIKey is USKUWELHMKJDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-17-13-8-6-12(7-9-13)15(4)10-11-16-14(15,2)3/h6-9,16H,5,10-11H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine?
3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2,2,3-trimethylpyrrolidine is sourced from PubChem (CID 55063190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).