2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol

C15H23NO — CID 117028454

IUPAC2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)c1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C15H23NO/c1-12(2)14-5-3-4-6-15(14)16-9-7-13(11-16)8-10-17/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyOMKNUOFEDZJNFZ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.02
Rot. Bonds4

About 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol

2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 117028454) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
PubChem CID117028454
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)c1ccccc1N1CCC(CCO)C1
InChIInChI=1S/C15H23NO/c1-12(2)14-5-3-4-6-15(14)16-9-7-13(11-16)8-10-17/h3-6,12-13,17H,7-11H2,1-2H3
InChIKeyOMKNUOFEDZJNFZ-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol 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

2-[1-(2-propan-2-ylphenyl)piperidin-4-yl]ethanol
CID 117003516
[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]methanol
CID 53215506
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 103942831
2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]benzaldehyde
CID 114798182
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 114798027
(1S)-1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]ethanol
CID 64597981
[1-[2-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626005
2-[4-(2-propan-2-ylphenyl)piperazin-1-yl]ethanol
CID 117028316
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-6-methylsulfanylbenzonitrile
CID 114797609
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol (CID 117028454) is 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol is CC(C)c1ccccc1N1CCC(CCO)C1.
What is the InChIKey of 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is OMKNUOFEDZJNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(2)14-5-3-4-6-15(14)16-9-7-13(11-16)8-10-17/h3-6,12-13,17H,7-11H2,1-2H3.
What are the key properties of 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol?
2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 233.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propan-2-ylphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117028454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).