2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol

C14H12BrF2NO2 — CID 63047244

IUPAC2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccccc2OC(F)F)cc1Br
InChIInChI=1S/C14H12BrF2NO2/c15-10-7-9(5-6-12(10)19)8-18-11-3-1-2-4-13(11)20-14(16)17/h1-7,14,18-19H,8H2
InChIKeyLXOUTUYGKCVGNX-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.37
Rot. Bonds5

About 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol

2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol (PubChem CID 63047244) has the molecular formula C14H12BrF2NO2 and a molecular weight of 344.16 g/mol. Its IUPAC name is 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
PubChem CID63047244
Molecular FormulaC14H12BrF2NO2
Molecular Weight344.16 g/mol
Exact Mass343.00
IUPAC Name2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccccc2OC(F)F)cc1Br
InChIInChI=1S/C14H12BrF2NO2/c15-10-7-9(5-6-12(10)19)8-18-11-3-1-2-4-13(11)20-14(16)17/h1-7,14,18-19H,8H2
InChIKeyLXOUTUYGKCVGNX-UHFFFAOYSA-N
XLogP4.37
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
4-[(2-propan-2-yloxyanilino)methyl]benzene-1,2-diol
CID 43739197
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
ethyl 2-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63045017
2-[2-[(3-bromo-4-hydroxyphenyl)methylamino]phenyl]sulfanylacetamide
CID 63047090
2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
CID 63045325

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol (CID 63047244) is 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol is Oc1ccc(CNc2ccccc2OC(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol?
The InChIKey is LXOUTUYGKCVGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2/c15-10-7-9(5-6-12(10)19)8-18-11-3-1-2-4-13(11)20-14(16)17/h1-7,14,18-19H,8H2.
What are the key properties of 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol?
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol has a molecular weight of 344.16 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol is sourced from PubChem (CID 63047244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).