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

C11H16FNO2 — CID 60981186

IUPAC2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(CO)cc1F
InChIInChI=1S/C11H16FNO2/c1-2-13(5-6-14)11-4-3-9(8-15)7-10(11)12/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyHCDFGGBITFPOGB-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.14
Rot. Bonds5

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

2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol (PubChem CID 60981186) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
PubChem CID60981186
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
SMILESCCN(CCO)c1ccc(CO)cc1F
InChIInChI=1S/C11H16FNO2/c1-2-13(5-6-14)11-4-3-9(8-15)7-10(11)12/h3-4,7,14-15H,2,5-6,8H2,1H3
InChIKeyHCDFGGBITFPOGB-UHFFFAOYSA-N
XLogP1.14
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
[3-fluoro-4-[methyl(propyl)amino]phenyl]methanol
CID 43271461
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
4-(bromomethyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 107079325
2-[4-[(cyclopropylamino)methyl]-2-fluoro-N-propylanilino]ethanol
CID 61424894
3-[[4-(diethylamino)-3-fluorophenyl]methylamino]-3-methylbutan-1-ol
CID 111469072
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
3-[[3-[ethyl(2-hydroxyethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753642
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804

Frequently Asked Questions

What is the IUPAC name of 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol?
The IUPAC name of 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol (CID 60981186) is 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol?
The canonical SMILES for 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol is CCN(CCO)c1ccc(CO)cc1F.
What is the InChIKey of 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol?
The InChIKey is HCDFGGBITFPOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-13(5-6-14)11-4-3-9(8-15)7-10(11)12/h3-4,7,14-15H,2,5-6,8H2,1H3.
What are the key properties of 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol?
2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol has a molecular weight of 213.25 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol is sourced from PubChem (CID 60981186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).