2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine

C16H25NO2 — CID 66465326

IUPAC2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
SMILESCCOc1ccc(C2(CC)CCCN2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-16(10-7-11-17-16)13-8-9-14(18-5-2)15(12-13)19-6-3/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyLHZQTIJTHZEGMX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.47
Rot. Bonds6

About 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine

2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine (PubChem CID 66465326) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
PubChem CID66465326
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine
SMILESCCOc1ccc(C2(CC)CCCN2)cc1OCC
InChIInChI=1S/C16H25NO2/c1-4-16(10-7-11-17-16)13-8-9-14(18-5-2)15(12-13)19-6-3/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyLHZQTIJTHZEGMX-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine?
The IUPAC name of 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine (CID 66465326) is 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine is CCOc1ccc(C2(CC)CCCN2)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine?
The InChIKey is LHZQTIJTHZEGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-16(10-7-11-17-16)13-8-9-14(18-5-2)15(12-13)19-6-3/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine?
2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)-2-ethylpyrrolidine is sourced from PubChem (CID 66465326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).