3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol

C11H16FNO3 — CID 107695240

IUPAC3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
SMILESCNCc1cc(F)ccc1OCC(O)CO
InChIInChI=1S/C11H16FNO3/c1-13-5-8-4-9(12)2-3-11(8)16-7-10(15)6-14/h2-4,10,13-15H,5-7H2,1H3
InChIKeySJCHQGGJXILRIH-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.28
Rot. Bonds6

About 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol

3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol (PubChem CID 107695240) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
PubChem CID107695240
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol
SMILESCNCc1cc(F)ccc1OCC(O)CO
InChIInChI=1S/C11H16FNO3/c1-13-5-8-4-9(12)2-3-11(8)16-7-10(15)6-14/h2-4,10,13-15H,5-7H2,1H3
InChIKeySJCHQGGJXILRIH-UHFFFAOYSA-N
XLogP0.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(methylaminomethyl)-4-nitrophenoxy]propane-1,2-diol
CID 82849676
1-[4-fluoro-2-(hydroxymethyl)phenoxy]butan-2-ol
CID 107698659
1-[2-(2-chloroprop-2-enoxy)-5-fluorophenyl]-N-methylmethanamine
CID 107695216
3-[5-methoxy-2-(methylaminomethyl)phenoxy]propane-1,2-diol
CID 82850992
3-[[6-(methylaminomethyl)-1,3-benzodioxol-5-yl]oxy]propane-1,2-diol
CID 82849900
3-[2-[(tert-butylamino)methyl]-4-fluorophenoxy]-2-methylpropan-1-ol
CID 107696645
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
3-[4-bromo-2-[(2-methylpropylamino)methyl]phenoxy]propane-1,2-diol
CID 82850872
1-[[4-fluoro-2-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 107695107
1-[5-fluoro-2-(2,2,2-trifluoroethoxymethoxy)phenyl]-N-methylmethanamine
CID 107695379
2-[4-fluoro-2-(methylaminomethyl)phenoxy]propanenitrile
CID 107695075

Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
The IUPAC name of 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol (CID 107695240) is 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol.
What is the SMILES notation for 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
The canonical SMILES for 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol is CNCc1cc(F)ccc1OCC(O)CO.
What is the InChIKey of 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
The InChIKey is SJCHQGGJXILRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-13-5-8-4-9(12)2-3-11(8)16-7-10(15)6-14/h2-4,10,13-15H,5-7H2,1H3.
What are the key properties of 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol?
3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol has a molecular weight of 229.25 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(methylaminomethyl)phenoxy]propane-1,2-diol is sourced from PubChem (CID 107695240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).