4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol

C15H14F3NO — CID 82981844

IUPAC4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
SMILESCCN(Cc1cc(F)c(O)c(F)c1)c1ccccc1F
InChIInChI=1S/C15H14F3NO/c1-2-19(14-6-4-3-5-11(14)16)9-10-7-12(17)15(20)13(18)8-10/h3-8,20H,2,9H2,1H3
InChIKeyKCRGYQOZJRHBSF-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.84
Rot. Bonds4

About 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol

4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol (PubChem CID 82981844) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
PubChem CID82981844
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
SMILESCCN(Cc1cc(F)c(O)c(F)c1)c1ccccc1F
InChIInChI=1S/C15H14F3NO/c1-2-19(14-6-4-3-5-11(14)16)9-10-7-12(17)15(20)13(18)8-10/h3-8,20H,2,9H2,1H3
InChIKeyKCRGYQOZJRHBSF-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
N-[(3-bromo-5-fluorophenyl)methyl]-N-ethyl-2-fluoroaniline
CID 79706205
4-[(N-ethyl-2-fluoroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 76931366
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethyl-2-fluoroaniline
CID 63887475
N-[(5-bromo-3-pyridinyl)methyl]-N-ethyl-2-fluoroaniline
CID 113228063
4-chloro-2-[(N-ethyl-2-fluoroanilino)methyl]-6-methoxyphenol
CID 104667270
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
CID 43281516
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-fluoroaniline
CID 62019121
2-[(N-ethyl-2-fluoroanilino)methyl]-4-fluorobenzonitrile
CID 107902818
3-(N-ethyl-2-fluoroanilino)propane-1,2-diol
CID 82849393
N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-2-fluoroaniline
CID 106906142
4-[(2-fluoro-N-methylanilino)methyl]-2,6-dimethoxyphenol
CID 82958062

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol?
The IUPAC name of 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol (CID 82981844) is 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol?
The canonical SMILES for 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol is CCN(Cc1cc(F)c(O)c(F)c1)c1ccccc1F.
What is the InChIKey of 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol?
The InChIKey is KCRGYQOZJRHBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-2-19(14-6-4-3-5-11(14)16)9-10-7-12(17)15(20)13(18)8-10/h3-8,20H,2,9H2,1H3.
What are the key properties of 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol?
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol has a molecular weight of 281.28 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol is sourced from PubChem (CID 82981844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).