3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol

C13H18FNO2 — CID 103395075

IUPAC3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCOc1ccc(C2(O)CC(C)N(C)C2)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-9-7-13(16,8-15(9)2)11-5-4-10(17-3)6-12(11)14/h4-6,9,16H,7-8H2,1-3H3
InChIKeySYDJIPGXTOVBRW-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.75
Rot. Bonds2

About 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol

3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol (PubChem CID 103395075) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
PubChem CID103395075
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
SMILESCOc1ccc(C2(O)CC(C)N(C)C2)c(F)c1
InChIInChI=1S/C13H18FNO2/c1-9-7-13(16,8-15(9)2)11-5-4-10(17-3)6-12(11)14/h4-6,9,16H,7-8H2,1-3H3
InChIKeySYDJIPGXTOVBRW-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
1-(2-fluoro-4-methoxyphenyl)-4-(methylamino)cyclohexan-1-ol
CID 103396883
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethylcycloheptan-1-ol
CID 103395024
3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468333
3-(2-fluoro-5-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171961585
1-(2-fluoro-4-methoxyphenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429701
3-[(2-bromo-5-methoxyphenyl)methyl]-1,5-dimethylpyrrolidin-3-ol
CID 81467434
(5S,7R)-3-(2-fluoro-4-methoxyphenyl)adamantane-1-carboxylic acid
CID 2431648
3-(3-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468134
2-(4-chloro-2-fluorophenyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510926
3-(4-ethoxy-2-fluorophenyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171955161
3-fluoro-3-(2-fluoro-4-methoxyphenyl)azetidine
CID 103397020

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The IUPAC name of 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol (CID 103395075) is 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The canonical SMILES for 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol is COc1ccc(C2(O)CC(C)N(C)C2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
The InChIKey is SYDJIPGXTOVBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-9-7-13(16,8-15(9)2)11-5-4-10(17-3)6-12(11)14/h4-6,9,16H,7-8H2,1-3H3.
What are the key properties of 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol?
3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol has a molecular weight of 239.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methoxyphenyl)-1,5-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 103395075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).