5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol

C15H15F2NO3 — CID 107705148

IUPAC5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccccc1OC(F)F)c1cc(O)cc(O)c1
InChIInChI=1S/C15H15F2NO3/c1-9(10-6-11(19)8-12(20)7-10)18-13-4-2-3-5-14(13)21-15(16)17/h2-9,15,18-20H,1H3
InChIKeyNKUGXEWIZYPZBU-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.87
Rot. Bonds5

About 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol

5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol (PubChem CID 107705148) has the molecular formula C15H15F2NO3 and a molecular weight of 295.28 g/mol. Its IUPAC name is 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
PubChem CID107705148
Molecular FormulaC15H15F2NO3
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Name5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol
SMILESCC(Nc1ccccc1OC(F)F)c1cc(O)cc(O)c1
InChIInChI=1S/C15H15F2NO3/c1-9(10-6-11(19)8-12(20)7-10)18-13-4-2-3-5-14(13)21-15(16)17/h2-9,15,18-20H,1H3
InChIKeyNKUGXEWIZYPZBU-UHFFFAOYSA-N
XLogP3.87
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol 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-[1-(3-bromophenyl)ethyl]-2-(difluoromethoxy)aniline
CID 43202029
2-(difluoromethoxy)-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43096414
methyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]benzoate
CID 107705419
N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739215
5-[1-(2-ethylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107706134
2-(difluoromethoxy)-N-(4-methylpentan-2-yl)aniline
CID 43100384
2-(difluoromethoxy)-N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83118159
2-(difluoromethoxy)-N-(2-methylpentan-3-yl)aniline
CID 43766728
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
2-[2-(difluoromethoxy)anilino]-N'-hydroxypropanimidamide
CID 77030017
2-(difluoromethoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64988333
N-[1-(4-ethylphenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739243

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol (CID 107705148) is 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol is CC(Nc1ccccc1OC(F)F)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol?
The InChIKey is NKUGXEWIZYPZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-9(10-6-11(19)8-12(20)7-10)18-13-4-2-3-5-14(13)21-15(16)17/h2-9,15,18-20H,1H3.
What are the key properties of 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol?
5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol has a molecular weight of 295.28 g/mol, XLogP of 3.87, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(difluoromethoxy)anilino]ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).