2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol

C13H19F2NO2 — CID 84590802

IUPAC2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCN(Cc1cc(F)ccc1F)CC(C)(CO)CO
InChIInChI=1S/C13H19F2NO2/c1-13(8-17,9-18)7-16(2)6-10-5-11(14)3-4-12(10)15/h3-5,17-18H,6-9H2,1-2H3
InChIKeyDMIWIKSJZXPXJJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.39
Rot. Bonds6

About 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol

2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol (PubChem CID 84590802) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
PubChem CID84590802
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCN(Cc1cc(F)ccc1F)CC(C)(CO)CO
InChIInChI=1S/C13H19F2NO2/c1-13(8-17,9-18)7-16(2)6-10-5-11(14)3-4-12(10)15/h3-5,17-18H,6-9H2,1-2H3
InChIKeyDMIWIKSJZXPXJJ-UHFFFAOYSA-N
XLogP1.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-methylbutan-1-ol
CID 62266717
3-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 62264784
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
[(2,4-difluorophenyl)methyl-methylamino]methanol
CID 115229150
2-[2-(2,5-difluorophenyl)ethyl-methylamino]ethanol
CID 115216384
5-[(2,5-difluorophenyl)methyl-methylamino]pentan-2-one
CID 115236590
N'-[(2,4-difluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645329
[5-fluoro-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]boronic acid
CID 54970873
1-[[5-(aminomethyl)-2-fluorophenyl]methyl-methylamino]-2-methylpropan-2-ol
CID 79382406
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylpropane-1,3-diol
CID 105376091
2-[(2,5-difluorophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79444671
4-fluoro-3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]benzonitrile
CID 78927342

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol (CID 84590802) is 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol is CN(Cc1cc(F)ccc1F)CC(C)(CO)CO.
What is the InChIKey of 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is DMIWIKSJZXPXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-13(8-17,9-18)7-16(2)6-10-5-11(14)3-4-12(10)15/h3-5,17-18H,6-9H2,1-2H3.
What are the key properties of 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol?
2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 259.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,5-difluorophenyl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 84590802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).