3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol

C14H13BrFNO — CID 104775910

IUPAC3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
SMILESCC(Nc1ccc(F)c(Br)c1)c1cccc(O)c1
InChIInChI=1S/C14H13BrFNO/c1-9(10-3-2-4-12(18)7-10)17-11-5-6-14(16)13(15)8-11/h2-9,17-18H,1H3
InChIKeyZFHFYQGOHUPCEV-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.47
Rot. Bonds3

About 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol

3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol (PubChem CID 104775910) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
PubChem CID104775910
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol
SMILESCC(Nc1ccc(F)c(Br)c1)c1cccc(O)c1
InChIInChI=1S/C14H13BrFNO/c1-9(10-3-2-4-12(18)7-10)17-11-5-6-14(16)13(15)8-11/h2-9,17-18H,1H3
InChIKeyZFHFYQGOHUPCEV-UHFFFAOYSA-N
XLogP4.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-4-[1-(3-hydroxyphenyl)ethylamino]phenol
CID 64793713
3-bromo-N-[1-(3,5-difluorophenyl)ethyl]-4-fluoroaniline
CID 104775807
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330
3-[1-(3-bromo-4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 43767555
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
3-[1-(2-bromo-4-chloroanilino)ethyl]phenol
CID 81263630
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
3-bromo-4-fluoro-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 104776069
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107705381
3-[1-(4-bromophenyl)ethylamino]phenol
CID 43206955
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)ethyl]phenol
CID 43193625

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol?
The IUPAC name of 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol (CID 104775910) is 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol.
What is the SMILES notation for 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol?
The canonical SMILES for 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol is CC(Nc1ccc(F)c(Br)c1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol?
The InChIKey is ZFHFYQGOHUPCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(10-3-2-4-12(18)7-10)17-11-5-6-14(16)13(15)8-11/h2-9,17-18H,1H3.
What are the key properties of 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol?
3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol has a molecular weight of 310.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromo-4-fluoroanilino)ethyl]phenol is sourced from PubChem (CID 104775910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).