3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol

C15H15F2NO — CID 43741707

IUPAC3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2c(F)cccc2F)c(C)c1O
InChIInChI=1S/C15H15F2NO/c1-9-6-7-14(10(2)15(9)19)18-8-11-12(16)4-3-5-13(11)17/h3-7,18-19H,8H2,1-2H3
InChIKeyJSPUDIYKBAAYPD-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.90
Rot. Bonds3

About 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol

3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol (PubChem CID 43741707) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
PubChem CID43741707
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2c(F)cccc2F)c(C)c1O
InChIInChI=1S/C15H15F2NO/c1-9-6-7-14(10(2)15(9)19)18-8-11-12(16)4-3-5-13(11)17/h3-7,18-19H,8H2,1-2H3
InChIKeyJSPUDIYKBAAYPD-UHFFFAOYSA-N
XLogP3.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol 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

N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
3-[(2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 43741748
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
2,6-dimethyl-3-[(3-methylphenyl)methylamino]phenol
CID 43741704
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
3-[(2-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 62392114
3-[(4-ethylphenyl)methylamino]-2,6-dimethylphenol
CID 43741705
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
3-fluoro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 63453660
methyl 3-[(2,6-difluorophenyl)methylamino]-4-methylbenzoate
CID 43680485
3-[(3,5-dichlorophenyl)methylamino]-2,6-dimethylphenol
CID 60790057

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol (CID 43741707) is 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2c(F)cccc2F)c(C)c1O.
What is the InChIKey of 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol?
The InChIKey is JSPUDIYKBAAYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9-6-7-14(10(2)15(9)19)18-8-11-12(16)4-3-5-13(11)17/h3-7,18-19H,8H2,1-2H3.
What are the key properties of 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol?
3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol has a molecular weight of 263.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 43741707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).