4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol

C16H17F2NO2 — CID 79832570

IUPAC4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
SMILESCCOCc1ccccc1NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-2-21-10-12-5-3-4-6-15(12)19-9-11-7-13(17)16(20)14(18)8-11/h3-8,19-20H,2,9-10H2,1H3
InChIKeyLZTBYCLZQAHFFQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.82
Rot. Bonds6

About 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol

4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol (PubChem CID 79832570) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
PubChem CID79832570
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol
SMILESCCOCc1ccccc1NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-2-21-10-12-5-3-4-6-15(12)19-9-11-7-13(17)16(20)14(18)8-11/h3-8,19-20H,2,9-10H2,1H3
InChIKeyLZTBYCLZQAHFFQ-UHFFFAOYSA-N
XLogP3.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-N-[(2-fluoro-5-methylphenyl)methyl]aniline
CID 103720558
N-[[4-(dimethylamino)phenyl]methyl]-2-(ethoxymethyl)aniline
CID 43750279
N-[(4-bromo-2-fluorophenyl)methyl]-2-(ethoxymethyl)aniline
CID 43750369
2-bromo-6-[[2-(ethoxymethyl)anilino]methyl]phenol
CID 61391843
2-(ethoxymethyl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62759362
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
2-(ethoxymethyl)-N-ethylaniline
CID 43750443
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
2-ethyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63052031
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
2-(ethoxymethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43750320
N-[(3-cyclopropylphenyl)methyl]-2-(ethoxymethyl)aniline
CID 79968881

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol?
The IUPAC name of 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol (CID 79832570) is 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol is CCOCc1ccccc1NCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol?
The InChIKey is LZTBYCLZQAHFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-2-21-10-12-5-3-4-6-15(12)19-9-11-7-13(17)16(20)14(18)8-11/h3-8,19-20H,2,9-10H2,1H3.
What are the key properties of 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol?
4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol has a molecular weight of 293.31 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethoxymethyl)anilino]methyl]-2,6-difluorophenol is sourced from PubChem (CID 79832570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).