3-(N-ethyl-2-fluoroanilino)propane-1,2-diol

C11H16FNO2 — CID 82849393

IUPAC3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
SMILESCCN(CC(O)CO)c1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-2-13(7-9(15)8-14)11-6-4-3-5-10(11)12/h3-6,9,14-15H,2,7-8H2,1H3
InChIKeyRUGOYGVYDPQFDR-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.01
Rot. Bonds5

About 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol

3-(N-ethyl-2-fluoroanilino)propane-1,2-diol (PubChem CID 82849393) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
PubChem CID82849393
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
SMILESCCN(CC(O)CO)c1ccccc1F
InChIInChI=1S/C11H16FNO2/c1-2-13(7-9(15)8-14)11-6-4-3-5-10(11)12/h3-6,9,14-15H,2,7-8H2,1H3
InChIKeyRUGOYGVYDPQFDR-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-ethyl-2-fluoroanilino)-2-(methylamino)butan-1-ol
CID 64791728
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003
[1-[(N-ethyl-2-fluoroanilino)methyl]cyclopentyl]methanol
CID 62265108
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
2-[(2-fluoro-N-methylanilino)methyl]butan-1-ol
CID 115250709
1-(N-ethyl-2-methylanilino)pentan-2-ol
CID 62041707
1-(N-ethyl-2-methylanilino)-3-sulfanylpropan-2-ol
CID 174382488
2-[2-fluoro-N-(2-hydroxyethyl)anilino]ethanol
CID 94254513
2-amino-4-(N-ethyl-2-fluoroanilino)butanoic acid
CID 63054175
3-(N-ethyl-2-fluoroanilino)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83111121
4-(N-ethyl-2-methylanilino)-3-hydroxybutanoic acid
CID 82777293

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol?
The IUPAC name of 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol (CID 82849393) is 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol.
What is the SMILES notation for 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol?
The canonical SMILES for 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol is CCN(CC(O)CO)c1ccccc1F.
What is the InChIKey of 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol?
The InChIKey is RUGOYGVYDPQFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-13(7-9(15)8-14)11-6-4-3-5-10(11)12/h3-6,9,14-15H,2,7-8H2,1H3.
What are the key properties of 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol?
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol has a molecular weight of 213.25 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-2-fluoroanilino)propane-1,2-diol is sourced from PubChem (CID 82849393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).