3-[(2,3-difluorophenyl)methylamino]phenol

C13H11F2NO — CID 63667379

IUPAC3-[(2,3-difluorophenyl)methylamino]phenol
SMILESOc1cccc(NCc2cccc(F)c2F)c1
InChIInChI=1S/C13H11F2NO/c14-12-6-1-3-9(13(12)15)8-16-10-4-2-5-11(17)7-10/h1-7,16-17H,8H2
InChIKeyAFYXZDKWYCUFRG-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.28
Rot. Bonds3

About 3-[(2,3-difluorophenyl)methylamino]phenol

3-[(2,3-difluorophenyl)methylamino]phenol (PubChem CID 63667379) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methylamino]phenol
PubChem CID63667379
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3-[(2,3-difluorophenyl)methylamino]phenol
SMILESOc1cccc(NCc2cccc(F)c2F)c1
InChIInChI=1S/C13H11F2NO/c14-12-6-1-3-9(13(12)15)8-16-10-4-2-5-11(17)7-10/h1-7,16-17H,8H2
InChIKeyAFYXZDKWYCUFRG-UHFFFAOYSA-N
XLogP3.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[(2,3-difluorophenyl)methylamino]phenol 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

4-[(2,3-difluorophenyl)methylamino]-2-fluorophenol
CID 64795401
N-[3-[(2,3-difluorophenyl)methylamino]phenyl]acetamide
CID 43425139
2-chloro-4-[(2,3-difluorophenyl)methylamino]phenol
CID 107678317
N-[(2,3-difluorophenyl)methyl]-3-pyrrol-1-ylaniline
CID 63667721
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
3-[(2-chloro-6-fluorophenyl)methylamino]phenol
CID 28722844
2-fluoro-6-[(3-iodoanilino)methyl]phenol
CID 112606354
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030
4-bromo-N-[(2,3-difluorophenyl)methyl]-2,6-difluoroaniline
CID 65469109
N-[(2-fluorophenyl)methyl]-3-iodoaniline
CID 28879188
N-[(2,3-difluorophenyl)methyl]-5-fluoropyridin-3-amine
CID 114217557

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methylamino]phenol?
The IUPAC name of 3-[(2,3-difluorophenyl)methylamino]phenol (CID 63667379) is 3-[(2,3-difluorophenyl)methylamino]phenol.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methylamino]phenol?
The canonical SMILES for 3-[(2,3-difluorophenyl)methylamino]phenol is Oc1cccc(NCc2cccc(F)c2F)c1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methylamino]phenol?
The InChIKey is AFYXZDKWYCUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-12-6-1-3-9(13(12)15)8-16-10-4-2-5-11(17)7-10/h1-7,16-17H,8H2.
What are the key properties of 3-[(2,3-difluorophenyl)methylamino]phenol?
3-[(2,3-difluorophenyl)methylamino]phenol has a molecular weight of 235.23 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methylamino]phenol is sourced from PubChem (CID 63667379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).