2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol

C12H17F3N2O — CID 107478882

IUPAC2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1ccc(F)cc1CN(CCO)CC(F)F
InChIInChI=1S/C12H17F3N2O/c13-11-2-1-9(6-16)10(5-11)7-17(3-4-18)8-12(14)15/h1-2,5,12,18H,3-4,6-8,16H2
InChIKeyXNUYJJLULCSNAW-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.34
Rot. Bonds7

About 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol

2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107478882) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol
PubChem CID107478882
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol
SMILESNCc1ccc(F)cc1CN(CCO)CC(F)F
InChIInChI=1S/C12H17F3N2O/c13-11-2-1-9(6-16)10(5-11)7-17(3-4-18)8-12(14)15/h1-2,5,12,18H,3-4,6-8,16H2
InChIKeyXNUYJJLULCSNAW-UHFFFAOYSA-N
XLogP1.34
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-2,2-difluoro-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487525
2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485069
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
N-(2-bromoethyl)-2,2-difluoro-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 107487560
2-[[2-(aminomethyl)-4-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 63289211
N'-(2,2-difluoroethyl)-N'-[(4-fluorophenyl)methyl]ethane-1,2-diamine
CID 107494442
2-[(2-chloroquinolin-3-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479153
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
2-[(3-amino-4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107478656
2-[(4-bromophenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107484838

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol (CID 107478882) is 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol is NCc1ccc(F)cc1CN(CCO)CC(F)F.
What is the InChIKey of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is XNUYJJLULCSNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-11-2-1-9(6-16)10(5-11)7-17(3-4-18)8-12(14)15/h1-2,5,12,18H,3-4,6-8,16H2.
What are the key properties of 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol?
2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 262.27 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-fluorophenyl]methyl-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107478882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).