1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol

C15H21NO2 — CID 113491781

IUPAC1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol
SMILESCOc1ccccc1C1(O)CC(C)N(C2CC2)C1
InChIInChI=1S/C15H21NO2/c1-11-9-15(17,10-16(11)12-7-8-12)13-5-3-4-6-14(13)18-2/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyQJDXQMCYAALDJD-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.14
Rot. Bonds3

About 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol

1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol (PubChem CID 113491781) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol
PubChem CID113491781
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol
SMILESCOc1ccccc1C1(O)CC(C)N(C2CC2)C1
InChIInChI=1S/C15H21NO2/c1-11-9-15(17,10-16(11)12-7-8-12)13-5-3-4-6-14(13)18-2/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyQJDXQMCYAALDJD-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 60794785
3-(2-methoxyphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171958442
3-hydroxy-3-(2-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 80502483
3-hydroxy-3-(2-methoxyphenyl)azetidine-1-carboxylic acid
CID 90134971
3-(2,5-dimethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468438
(1R,5R)-3-(2-methoxyphenyl)-8-[(2-prop-2-ynoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98137387
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
2-methoxy-1-(2-methoxyphenyl)cyclohexan-1-ol
CID 106873696
8-[4-(cyclopropylamino)-6-methylpyrimidin-2-yl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 3228666
(1R,5S)-8-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3-(2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 92593086
3-(2-methoxyphenyl)-5,5-dimethylthian-3-ol
CID 79946466
3-(2-methoxyphenyl)-8-[(5-methyl-1-propylpyrazol-4-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 46955311

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol (CID 113491781) is 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol is COc1ccccc1C1(O)CC(C)N(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol?
The InChIKey is QJDXQMCYAALDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-9-15(17,10-16(11)12-7-8-12)13-5-3-4-6-14(13)18-2/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol?
1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol has a molecular weight of 247.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methoxyphenyl)-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 113491781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).