5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol

C14H13BrFNO2 — CID 28939098

IUPAC5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccc(F)cc2Br)cc1O
InChIInChI=1S/C14H13BrFNO2/c1-19-14-5-2-9(6-13(14)18)8-17-12-4-3-10(16)7-11(12)15/h2-7,17-18H,8H2,1H3
InChIKeyYCQMTZWQOKCDRG-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.91
Rot. Bonds4

About 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol

5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol (PubChem CID 28939098) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
PubChem CID28939098
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccc(F)cc2Br)cc1O
InChIInChI=1S/C14H13BrFNO2/c1-19-14-5-2-9(6-13(14)18)8-17-12-4-3-10(16)7-11(12)15/h2-7,17-18H,8H2,1H3
InChIKeyYCQMTZWQOKCDRG-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-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336157
4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
CID 28939104
N-[(3-bromo-4-methoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768476
2-methoxy-5-[(2,3,5-trifluoroanilino)methyl]phenol
CID 62810508
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
CID 104600016
2-methoxy-5-[(2,4,6-trifluoroanilino)methyl]phenol
CID 58752919
[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
2,4-dibromo-N-[(3,4-dimethoxyphenyl)methyl]aniline
CID 43683051
2-[(3-bromo-4-methoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79034247
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol (CID 28939098) is 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol is COc1ccc(CNc2ccc(F)cc2Br)cc1O.
What is the InChIKey of 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol?
The InChIKey is YCQMTZWQOKCDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-19-14-5-2-9(6-13(14)18)8-17-12-4-3-10(16)7-11(12)15/h2-7,17-18H,8H2,1H3.
What are the key properties of 5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol?
5-[(2-bromo-4-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-4-fluoroanilino)methyl]-2-methoxyphenol is sourced from PubChem (CID 28939098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).