2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol

C15H15F2NO3 — CID 43699564

IUPAC2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
SMILESCOc1ccc(OC(F)F)c(NCc2ccccc2O)c1
InChIInChI=1S/C15H15F2NO3/c1-20-11-6-7-14(21-15(16)17)12(8-11)18-9-10-4-2-3-5-13(10)19/h2-8,15,18-19H,9H2,1H3
InChIKeyZCVVTRITXPPCEU-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.61
Rot. Bonds6

About 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol

2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol (PubChem CID 43699564) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
PubChem CID43699564
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Name2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
SMILESCOc1ccc(OC(F)F)c(NCc2ccccc2O)c1
InChIInChI=1S/C15H15F2NO3/c1-20-11-6-7-14(21-15(16)17)12(8-11)18-9-10-4-2-3-5-13(10)19/h2-8,15,18-19H,9H2,1H3
InChIKeyZCVVTRITXPPCEU-UHFFFAOYSA-N
XLogP3.61
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]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

2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
N-[(4-bromothiophen-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699802
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 103818584
2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81308332
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
CID 81401237
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901
2-[(2-ethylanilino)methyl]-4-methoxyphenol
CID 28617814
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol?
The IUPAC name of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol (CID 43699564) is 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol.
What is the SMILES notation for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol?
The canonical SMILES for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol is COc1ccc(OC(F)F)c(NCc2ccccc2O)c1.
What is the InChIKey of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol?
The InChIKey is ZCVVTRITXPPCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-20-11-6-7-14(21-15(16)17)12(8-11)18-9-10-4-2-3-5-13(10)19/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol?
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol has a molecular weight of 295.29 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol is sourced from PubChem (CID 43699564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).