3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol

C14H21NO2 — CID 81468333

IUPAC3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCCOc1ccc(C2(O)CC(C)N(C)C2)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-13-7-5-12(6-8-13)14(16)9-11(2)15(3)10-14/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyLFMCQECKTOSWBR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds3

About 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol

3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 81468333) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID81468333
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCCOc1ccc(C2(O)CC(C)N(C)C2)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-13-7-5-12(6-8-13)14(16)9-11(2)15(3)10-14/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyLFMCQECKTOSWBR-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol (CID 81468333) is 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol is CCOc1ccc(C2(O)CC(C)N(C)C2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is LFMCQECKTOSWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-13-7-5-12(6-8-13)14(16)9-11(2)15(3)10-14/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 81468333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).