2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol

C15H15F2NO3 — CID 43698991

IUPAC2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cccc(OC(F)F)c2)c1O
InChIInChI=1S/C15H15F2NO3/c1-20-13-7-2-4-10(14(13)19)9-18-11-5-3-6-12(8-11)21-15(16)17/h2-8,15,18-19H,9H2,1H3
InChIKeyZQDCHOWHXXUPQM-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.61
Rot. Bonds6

About 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol

2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol (PubChem CID 43698991) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
PubChem CID43698991
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Name2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2cccc(OC(F)F)c2)c1O
InChIInChI=1S/C15H15F2NO3/c1-20-13-7-2-4-10(14(13)19)9-18-11-5-3-6-12(8-11)21-15(16)17/h2-8,15,18-19H,9H2,1H3
InChIKeyZQDCHOWHXXUPQM-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'}

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Related Compounds

2-[[4-(difluoromethylsulfanyl)anilino]methyl]-6-methoxyphenol
CID 43673138
ethyl 3-[(2-hydroxy-3-methoxyphenyl)methylamino]benzoate
CID 51047333
2-methoxy-6-[(3-nitroanilino)methyl]phenol
CID 5140432
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 78883616
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
CID 115951590
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867
2-methoxy-6-[(thiophen-3-ylamino)methyl]phenol
CID 66351207
2-[[4-(dimethylamino)anilino]methyl]-6-methoxyphenol
CID 43616982
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol (CID 43698991) is 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol is COc1cccc(CNc2cccc(OC(F)F)c2)c1O.
What is the InChIKey of 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol?
The InChIKey is ZQDCHOWHXXUPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-20-13-7-2-4-10(14(13)19)9-18-11-5-3-6-12(8-11)21-15(16)17/h2-8,15,18-19H,9H2,1H3.
What are the key properties of 2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol?
2-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol 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-[[3-(difluoromethoxy)anilino]methyl]-6-methoxyphenol is sourced from PubChem (CID 43698991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).