2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

C11H16FNO4 — CID 107850289

IUPAC2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)NCc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO4/c12-9-3-8(1-2-10(9)17)4-13-11(5-14,6-15)7-16/h1-3,13-17H,4-7H2
InChIKeyLXLHLOHCBMPRIQ-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.66
Rot. Bonds6

About 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107850289) has the molecular formula C11H16FNO4 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107850289
Molecular FormulaC11H16FNO4
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESOCC(CO)(CO)NCc1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO4/c12-9-3-8(1-2-10(9)17)4-13-11(5-14,6-15)7-16/h1-3,13-17H,4-7H2
InChIKeyLXLHLOHCBMPRIQ-UHFFFAOYSA-N
XLogP-0.66
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850693
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851137
2-ethyl-2-[(3-fluoro-4-methylphenyl)methylamino]propane-1,3-diol
CID 103880650
2-[(4-bromo-3-fluorophenyl)methylamino]-2-ethylbutan-1-ol
CID 79672182
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-3-methylbutanamide
CID 114142794
2-ethoxy-4-[[3-(hydroxymethyl)pentan-3-ylamino]methyl]phenol
CID 62518899
4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]benzene-1,2-diol
CID 28724969
2-fluoro-4-[[(1-methylcyclopentyl)methylamino]methyl]phenol
CID 107685782
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 107685981
2-ethyl-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 62519065
4-[(2,3-dimethylbutylamino)methyl]-2-fluorophenol
CID 107685805
4-[[2-(4-chlorophenyl)ethylamino]methyl]-2-fluorophenol
CID 107685294

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (CID 107850289) is 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is OCC(CO)(CO)NCc1ccc(O)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is LXLHLOHCBMPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4/c12-9-3-8(1-2-10(9)17)4-13-11(5-14,6-15)7-16/h1-3,13-17H,4-7H2.
What are the key properties of 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 245.25 g/mol, XLogP of -0.66, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107850289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).