2-[(4-methylphenyl)methyl]pyrrolidin-3-ol

C12H17NO — CID 83829838

IUPAC2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CC2NCCC2O)cc1
InChIInChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)8-11-12(14)6-7-13-11/h2-5,11-14H,6-8H2,1H3
InChIKeyFPORHRXQVATOHC-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.26
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol

2-[(4-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 83829838) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID83829838
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESCc1ccc(CC2NCCC2O)cc1
InChIInChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)8-11-12(14)6-7-13-11/h2-5,11-14H,6-8H2,1H3
InChIKeyFPORHRXQVATOHC-UHFFFAOYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(4-methylphenyl)methyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol (CID 83829838) is 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol is Cc1ccc(CC2NCCC2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is FPORHRXQVATOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-2-4-10(5-3-9)8-11-12(14)6-7-13-11/h2-5,11-14H,6-8H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
2-[(4-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 191.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 83829838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).