4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol

C14H12BrClFNO — CID 82774122

IUPAC4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
SMILESCC(Nc1ccc(O)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-8(11-4-2-9(15)6-12(11)16)18-10-3-5-14(19)13(17)7-10/h2-8,18-19H,1H3
InChIKeyVXECUJMGDVGZQT-UHFFFAOYSA-N
MW344.61 g/mol
LogP5.12
Rot. Bonds3

About 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol

4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol (PubChem CID 82774122) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
PubChem CID82774122
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol
SMILESCC(Nc1ccc(O)c(F)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H12BrClFNO/c1-8(11-4-2-9(15)6-12(11)16)18-10-3-5-14(19)13(17)7-10/h2-8,18-19H,1H3
InChIKeyVXECUJMGDVGZQT-UHFFFAOYSA-N
XLogP5.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
2-[1-(4-chloro-3-fluoroanilino)ethyl]benzene-1,4-diol
CID 43721515
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107701003
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-chloro-4-methoxyaniline
CID 82962595
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-nitroaniline
CID 82774955
2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
2-[1-(4-bromo-3-chloroanilino)ethyl]-4-fluorophenol
CID 107619041
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
CID 64794999

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol?
The IUPAC name of 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol (CID 82774122) is 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol.
What is the SMILES notation for 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol?
The canonical SMILES for 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol is CC(Nc1ccc(O)c(F)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol?
The InChIKey is VXECUJMGDVGZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c1-8(11-4-2-9(15)6-12(11)16)18-10-3-5-14(19)13(17)7-10/h2-8,18-19H,1H3.
What are the key properties of 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol?
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol has a molecular weight of 344.61 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-bromo-2-chlorophenyl)ethylamino]-2-fluorophenol is sourced from PubChem (CID 82774122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).