2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol

C11H17FN2O — CID 60979832

IUPAC2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
SMILESCCN(CCO)c1ccc(CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-2-14(5-6-15)11-4-3-9(8-13)7-10(11)12/h3-4,7,15H,2,5-6,8,13H2,1H3
InChIKeyZMNNIAPWCUDKHV-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.10
Rot. Bonds5

About 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol

2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol (PubChem CID 60979832) has the molecular formula C11H17FN2O and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
PubChem CID60979832
Molecular FormulaC11H17FN2O
Molecular Weight212.27 g/mol
Exact Mass212.13
IUPAC Name2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
SMILESCCN(CCO)c1ccc(CN)cc1F
InChIInChI=1S/C11H17FN2O/c1-2-14(5-6-15)11-4-3-9(8-13)7-10(11)12/h3-4,7,15H,2,5-6,8,13H2,1H3
InChIKeyZMNNIAPWCUDKHV-UHFFFAOYSA-N
XLogP1.10
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-ethyl-2-fluoro-4-(hydroxymethyl)anilino]ethanol
CID 60981186
2-[N-ethyl-2-fluoro-4-(methylaminomethyl)anilino]ethanol
CID 60980506
2-[4-(aminomethyl)-2-fluoro-N-methylanilino]ethanol
CID 60960608
2-[N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63058478
4-[ethyl(2-hydroxyethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 54879747
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
4-(bromomethyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 107079325
2-[4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107481543
2-[2-(aminomethyl)-N-ethyl-4-(trifluoromethyl)anilino]ethanol
CID 54879996
3-[4-[(1R)-1-aminoethyl]-N-ethyl-2-fluoroanilino]propan-1-ol
CID 104861804

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol (CID 60979832) is 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol is CCN(CCO)c1ccc(CN)cc1F.
What is the InChIKey of 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol?
The InChIKey is ZMNNIAPWCUDKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O/c1-2-14(5-6-15)11-4-3-9(8-13)7-10(11)12/h3-4,7,15H,2,5-6,8,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol?
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol has a molecular weight of 212.27 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol is sourced from PubChem (CID 60979832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).