2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol

C13H19NO2 — CID 117028550

IUPAC2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(N2CCCC2CCO)cc1
InChIInChI=1S/C13H19NO2/c1-16-13-6-4-12(5-7-13)14-9-2-3-11(14)8-10-15/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyCSKAEYCUDSIELN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds4

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

2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol (PubChem CID 117028550) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
PubChem CID117028550
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol
SMILESCOc1ccc(N2CCCC2CCO)cc1
InChIInChI=1S/C13H19NO2/c1-16-13-6-4-12(5-7-13)14-9-2-3-11(14)8-10-15/h4-7,11,15H,2-3,8-10H2,1H3
InChIKeyCSKAEYCUDSIELN-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-[1-(4-methoxyphenyl)pyrrolidin-2-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol (CID 117028550) is 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol is COc1ccc(N2CCCC2CCO)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol?
The InChIKey is CSKAEYCUDSIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13-6-4-12(5-7-13)14-9-2-3-11(14)8-10-15/h4-7,11,15H,2-3,8-10H2,1H3.
What are the key properties of 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol?
2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol has a molecular weight of 221.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 117028550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).