4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol

C15H15BrFNO2 — CID 28939104

IUPAC4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2ccc(F)cc2Br)ccc1O
InChIInChI=1S/C15H15BrFNO2/c1-2-20-15-7-10(3-6-14(15)19)9-18-13-5-4-11(17)8-12(13)16/h3-8,18-19H,2,9H2,1H3
InChIKeyVILNVJPNGUBHSF-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.30
Rot. Bonds5

About 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol

4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol (PubChem CID 28939104) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol.

Molecular Properties

Compound Name4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
PubChem CID28939104
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
SMILESCCOc1cc(CNc2ccc(F)cc2Br)ccc1O
InChIInChI=1S/C15H15BrFNO2/c1-2-20-15-7-10(3-6-14(15)19)9-18-13-5-4-11(17)8-12(13)16/h3-8,18-19H,2,9H2,1H3
InChIKeyVILNVJPNGUBHSF-UHFFFAOYSA-N
XLogP4.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[[(4-bromophenyl)methylamino]methyl]-2-ethoxyphenol
CID 60735183
4-[(5-chloro-2-methoxyanilino)methyl]-2-ethoxyphenol
CID 28514732
2-ethoxy-4-[[(4-methyl-3-pyridinyl)amino]methyl]phenol
CID 63329273
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
2-ethoxy-4-[[(3-ethyl-1-methylpyrazol-4-yl)amino]methyl]phenol
CID 107462470

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol?
The IUPAC name of 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol (CID 28939104) is 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol.
What is the SMILES notation for 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol?
The canonical SMILES for 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol is CCOc1cc(CNc2ccc(F)cc2Br)ccc1O.
What is the InChIKey of 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol?
The InChIKey is VILNVJPNGUBHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-2-20-15-7-10(3-6-14(15)19)9-18-13-5-4-11(17)8-12(13)16/h3-8,18-19H,2,9H2,1H3.
What are the key properties of 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol?
4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol has a molecular weight of 340.19 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol is sourced from PubChem (CID 28939104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).