[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol

C15H21F2NO2 — CID 79581372

IUPAC[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCOc1cccc(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-18-15(10-19)8-3-4-11(15)7-9-20-13-6-2-5-12(16)14(13)17/h2,5-6,11,18-19H,3-4,7-10H2,1H3
InChIKeyYIMAALGCUOTNAR-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.48
Rot. Bonds6

About [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol

[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol (PubChem CID 79581372) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol
PubChem CID79581372
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol
SMILESCNC1(CO)CCCC1CCOc1cccc(F)c1F
InChIInChI=1S/C15H21F2NO2/c1-18-15(10-19)8-3-4-11(15)7-9-20-13-6-2-5-12(16)14(13)17/h2,5-6,11,18-19H,3-4,7-10H2,1H3
InChIKeyYIMAALGCUOTNAR-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol 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-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol?
The IUPAC name of [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol (CID 79581372) is [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol?
The canonical SMILES for [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol is CNC1(CO)CCCC1CCOc1cccc(F)c1F.
What is the InChIKey of [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol?
The InChIKey is YIMAALGCUOTNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-18-15(10-19)8-3-4-11(15)7-9-20-13-6-2-5-12(16)14(13)17/h2,5-6,11,18-19H,3-4,7-10H2,1H3.
What are the key properties of [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol?
[2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol has a molecular weight of 285.33 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,3-difluorophenoxy)ethyl]-1-(methylamino)cyclopentyl]methanol is sourced from PubChem (CID 79581372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).