2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol

C13H19NO — CID 117028445

IUPAC2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1ccc(N2CCC(CCO)C2)cc1
InChIInChI=1S/C13H19NO/c1-11-2-4-13(5-3-11)14-8-6-12(10-14)7-9-15/h2-5,12,15H,6-10H2,1H3
InChIKeyPBGGFWUNQMCNEO-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.20
Rot. Bonds3

About 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol

2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol (PubChem CID 117028445) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
PubChem CID117028445
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
SMILESCc1ccc(N2CCC(CCO)C2)cc1
InChIInChI=1S/C13H19NO/c1-11-2-4-13(5-3-11)14-8-6-12(10-14)7-9-15/h2-5,12,15H,6-10H2,1H3
InChIKeyPBGGFWUNQMCNEO-UHFFFAOYSA-N
XLogP2.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[1-(4-methylphenyl)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-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 114796967
2-[1-(3,4-diaminophenyl)pyrrolidin-3-yl]ethanol
CID 106751244
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 114797982
2-[1-[4-[1-(propylamino)ethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 114798062
(3R)-1-(4-methylphenyl)pyrrolidin-3-amine
CID 93285995
2-[1-(3-aminophenyl)pyrrolidin-3-yl]ethanol
CID 114796856
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
2-[1-(3-bromophenyl)pyrrolidin-3-yl]ethanol
CID 83981690
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol (CID 117028445) is 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol is Cc1ccc(N2CCC(CCO)C2)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol?
The InChIKey is PBGGFWUNQMCNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11-2-4-13(5-3-11)14-8-6-12(10-14)7-9-15/h2-5,12,15H,6-10H2,1H3.
What are the key properties of 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol?
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol has a molecular weight of 205.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117028445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).