4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol

C16H18FNO — CID 28932344

IUPAC4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1ccc(F)cc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C16H18FNO/c1-10-4-5-14(17)8-15(10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3
InChIKeyWPIXSVQVMDNHIG-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.07
Rot. Bonds3

About 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol

4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932344) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID28932344
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1ccc(F)cc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C16H18FNO/c1-10-4-5-14(17)8-15(10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3
InChIKeyWPIXSVQVMDNHIG-UHFFFAOYSA-N
XLogP4.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-chloro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932187
4-[(5-fluoro-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103952997
2-fluoro-6-[(5-fluoro-2-methylanilino)methyl]phenol
CID 112606277
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
CID 28932268
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline
CID 60679321
4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
CID 28932228
N-[(2-bromo-5-fluorophenyl)methyl]-5-fluoro-2-methylaniline
CID 28532250
3-[(5-fluoro-2-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77029984
4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
CID 79359581
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol (CID 28932344) is 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol is Cc1ccc(F)cc1NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is WPIXSVQVMDNHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-10-4-5-14(17)8-15(10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol?
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 259.32 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).