5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol

C14H13BrFNO2 — CID 107633247

IUPAC5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2cc(F)ccc2Br)cc1O
InChIInChI=1S/C14H13BrFNO2/c1-19-14-5-2-9(6-13(14)18)8-17-12-7-10(16)3-4-11(12)15/h2-7,17-18H,8H2,1H3
InChIKeyQYKMKMURNUEVMY-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.91
Rot. Bonds4

About 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol

5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol (PubChem CID 107633247) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
PubChem CID107633247
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2cc(F)ccc2Br)cc1O
InChIInChI=1S/C14H13BrFNO2/c1-19-14-5-2-9(6-13(14)18)8-17-12-7-10(16)3-4-11(12)15/h2-7,17-18H,8H2,1H3
InChIKeyQYKMKMURNUEVMY-UHFFFAOYSA-N
XLogP3.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
2-methoxy-5-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810508
2-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-5-fluoroaniline
CID 107633175
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
2-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82761157
N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768476
2-bromo-5-fluoro-N-[[3-(methoxymethyl)phenyl]methyl]aniline
CID 103826024
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
2-bromo-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoroaniline
CID 107633034
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336157

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol (CID 107633247) is 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol is COc1ccc(CNc2cc(F)ccc2Br)cc1O.
What is the InChIKey of 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol?
The InChIKey is QYKMKMURNUEVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-19-14-5-2-9(6-13(14)18)8-17-12-7-10(16)3-4-11(12)15/h2-7,17-18H,8H2,1H3.
What are the key properties of 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol?
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol has a molecular weight of 326.17 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 107633247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).