2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol

C14H13F2NO2 — CID 79891427

IUPAC2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
SMILESOCc1cccc(NCc2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C14H13F2NO2/c15-12-5-10(6-13(16)14(12)19)7-17-11-3-1-2-9(4-11)8-18/h1-6,17-19H,7-8H2
InChIKeyHUTNHDGERIAFMZ-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.77
Rot. Bonds4

About 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol

2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol (PubChem CID 79891427) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
PubChem CID79891427
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol
SMILESOCc1cccc(NCc2cc(F)c(O)c(F)c2)c1
InChIInChI=1S/C14H13F2NO2/c15-12-5-10(6-13(16)14(12)19)7-17-11-3-1-2-9(4-11)8-18/h1-6,17-19H,7-8H2
InChIKeyHUTNHDGERIAFMZ-UHFFFAOYSA-N
XLogP2.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-4-[(3-methylsulfanylanilino)methyl]phenol
CID 79831774
4-[(3-ethynylanilino)methyl]-2,6-difluorophenol
CID 79887180
4-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 43715040
3-[[3-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61319500
[3-(2,2-difluoroethylamino)phenyl]methanol
CID 130693904
2,6-difluoro-4-[[4-(2-hydroxyethyl)anilino]methyl]phenol
CID 79891958
2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 63046915
2,6-difluoro-4-[[(6-fluoro-3-pyridinyl)amino]methyl]phenol
CID 103946844
4-[[4-(dimethylamino)anilino]methyl]-2,6-difluorophenol
CID 79891482
4-[(1,3-benzodioxol-5-ylamino)methyl]-2,6-difluorophenol
CID 79886832
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol (CID 79891427) is 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol is OCc1cccc(NCc2cc(F)c(O)c(F)c2)c1.
What is the InChIKey of 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
The InChIKey is HUTNHDGERIAFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c15-12-5-10(6-13(16)14(12)19)7-17-11-3-1-2-9(4-11)8-18/h1-6,17-19H,7-8H2.
What are the key properties of 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol?
2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol has a molecular weight of 265.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[3-(hydroxymethyl)anilino]methyl]phenol is sourced from PubChem (CID 79891427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).