2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol

C14H20FNO2 — CID 54994152

IUPAC2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
SMILESOCCN(c1ccc(F)cc1CO)C1CCCC1
InChIInChI=1S/C14H20FNO2/c15-12-5-6-14(11(9-12)10-18)16(7-8-17)13-3-1-2-4-13/h5-6,9,13,17-18H,1-4,7-8,10H2
InChIKeyUKODWMBMVHEALL-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.06
Rot. Bonds5

About 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol

2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol (PubChem CID 54994152) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
PubChem CID54994152
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol
SMILESOCCN(c1ccc(F)cc1CO)C1CCCC1
InChIInChI=1S/C14H20FNO2/c15-12-5-6-14(11(9-12)10-18)16(7-8-17)13-3-1-2-4-13/h5-6,9,13,17-18H,1-4,7-8,10H2
InChIKeyUKODWMBMVHEALL-UHFFFAOYSA-N
XLogP2.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]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

(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
2-(2-amino-N-cyclobutyl-5-fluoroanilino)ethanol
CID 102859536
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
CID 54994680
2-[cyclohexyl(2-hydroxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63672687
2-[N-cyclopropyl-4-fluoro-2-(propylaminomethyl)anilino]ethanol
CID 54994918
2-[N-cyclobutyl-2-(hydroxymethyl)-4-nitroanilino]ethanol
CID 102864279
2-[4-(aminomethyl)-N-cyclopentyl-2,3-difluoroanilino]ethanol
CID 107932834
2-(bromomethyl)-N-cyclopentyl-4-fluoro-N-(3-methylbutyl)aniline
CID 107084629
4-[cyclopentyl(2-hydroxyethyl)amino]-3-fluorobenzaldehyde
CID 54994433
2-[4-(aminomethyl)-N-cyclopentyl-3-fluoroanilino]ethanol
CID 113295415
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
2-[3-bromo-N-cyclopentyl-4-(hydroxymethyl)anilino]ethanol
CID 114060297

Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol (CID 54994152) is 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol is OCCN(c1ccc(F)cc1CO)C1CCCC1.
What is the InChIKey of 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol?
The InChIKey is UKODWMBMVHEALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-12-5-6-14(11(9-12)10-18)16(7-8-17)13-3-1-2-4-13/h5-6,9,13,17-18H,1-4,7-8,10H2.
What are the key properties of 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol?
2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol has a molecular weight of 253.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclopentyl-4-fluoro-2-(hydroxymethyl)anilino]ethanol is sourced from PubChem (CID 54994152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).