2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol

C15H15BrFNO2 — CID 63047094

IUPAC2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
SMILESCCOc1cc(F)ccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-2-20-15-8-11(17)4-5-13(15)18-9-10-3-6-14(19)12(16)7-10/h3-8,18-19H,2,9H2,1H3
InChIKeySQVUOAXXUXIWKK-UHFFFAOYSA-N
MW340.19 g/mol
LogP4.30
Rot. Bonds5

About 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol

2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol (PubChem CID 63047094) has the molecular formula C15H15BrFNO2 and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
PubChem CID63047094
Molecular FormulaC15H15BrFNO2
Molecular Weight340.19 g/mol
Exact Mass339.03
IUPAC Name2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
SMILESCCOc1cc(F)ccc1NCc1ccc(O)c(Br)c1
InChIInChI=1S/C15H15BrFNO2/c1-2-20-15-8-11(17)4-5-13(15)18-9-10-3-6-14(19)12(16)7-10/h3-8,18-19H,2,9H2,1H3
InChIKeySQVUOAXXUXIWKK-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

4-[(2-bromo-4-fluoroanilino)methyl]-2-ethoxyphenol
CID 28939104
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
2-bromo-4-[(4-fluoro-2-iodoanilino)methyl]phenol
CID 79769373
2-bromo-4-[(2,5-difluoroanilino)methyl]phenol
CID 63045325
2-bromo-4-[(4-ethoxy-2-methylanilino)methyl]phenol
CID 60962099
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-fluoroaniline
CID 115380053
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
2-bromo-4-[(2,3,4-trifluoroanilino)methyl]phenol
CID 63045152
2-ethoxy-4-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936544
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol?
The IUPAC name of 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol (CID 63047094) is 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol.
What is the SMILES notation for 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol?
The canonical SMILES for 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol is CCOc1cc(F)ccc1NCc1ccc(O)c(Br)c1.
What is the InChIKey of 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol?
The InChIKey is SQVUOAXXUXIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2/c1-2-20-15-8-11(17)4-5-13(15)18-9-10-3-6-14(19)12(16)7-10/h3-8,18-19H,2,9H2,1H3.
What are the key properties of 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol?
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol 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 2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol is sourced from PubChem (CID 63047094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).