4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol

C14H13BrFNO2 — CID 107693460

IUPAC4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
SMILESOCC(Nc1cccc(Br)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H13BrFNO2/c15-10-2-1-3-11(7-10)17-13(8-18)9-4-5-14(19)12(16)6-9/h1-7,13,17-19H,8H2
InChIKeyDBVGFITXJBFPHD-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.44
Rot. Bonds4

About 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol

4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol (PubChem CID 107693460) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
PubChem CID107693460
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol
SMILESOCC(Nc1cccc(Br)c1)c1ccc(O)c(F)c1
InChIInChI=1S/C14H13BrFNO2/c15-10-2-1-3-11(7-10)17-13(8-18)9-4-5-14(19)12(16)6-9/h1-7,13,17-19H,8H2
InChIKeyDBVGFITXJBFPHD-UHFFFAOYSA-N
XLogP3.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686152
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
2-(3-bromoanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 61047867
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
2-(3-bromoanilino)-2-(5-bromo-2-fluorophenyl)ethanol
CID 61050655
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
2-(3-bromoanilino)-2-(3-bromo-4-methoxyphenyl)ethanol
CID 61048471
2-(3-bromophenyl)-2-(3-chloroanilino)ethanol
CID 61050345
2-(3-bromoanilino)-2-(4-cyclopropylphenyl)ethanol
CID 79979786
2-(3-bromoanilino)-2-(2,6-dichlorophenyl)ethanol
CID 61049669

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol?
The IUPAC name of 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol (CID 107693460) is 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol.
What is the SMILES notation for 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol?
The canonical SMILES for 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol is OCC(Nc1cccc(Br)c1)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol?
The InChIKey is DBVGFITXJBFPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c15-10-2-1-3-11(7-10)17-13(8-18)9-4-5-14(19)12(16)6-9/h1-7,13,17-19H,8H2.
What are the key properties of 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol?
4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol has a molecular weight of 326.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromoanilino)-2-hydroxyethyl]-2-fluorophenol is sourced from PubChem (CID 107693460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).