2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol

C14H13BrFNO — CID 107633370

IUPAC2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
SMILESCC(Nc1cc(F)ccc1Br)c1ccccc1O
InChIInChI=1S/C14H13BrFNO/c1-9(11-4-2-3-5-14(11)18)17-13-8-10(16)6-7-12(13)15/h2-9,17-18H,1H3
InChIKeyHJZIVVWMGLMNQS-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.47
Rot. Bonds3

About 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol

2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol (PubChem CID 107633370) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
PubChem CID107633370
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
SMILESCC(Nc1cc(F)ccc1Br)c1ccccc1O
InChIInChI=1S/C14H13BrFNO/c1-9(11-4-2-3-5-14(11)18)17-13-8-10(16)6-7-12(13)15/h2-9,17-18H,1H3
InChIKeyHJZIVVWMGLMNQS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(4-fluoro-2-iodoanilino)ethyl]phenol
CID 79769055
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
2-bromo-N-[1-(2,6-difluorophenyl)ethyl]-5-fluoroaniline
CID 107632832
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-fluorophenol
CID 107610013
2-[1-(2-bromo-4-methylanilino)ethyl]-5-fluorophenol
CID 63066349
2-[1-(4-chloro-2-fluoroanilino)ethyl]phenol
CID 43716635
2-[1-(2-tert-butylanilino)ethyl]-5-fluorophenol
CID 63064456

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol?
The IUPAC name of 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol (CID 107633370) is 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol.
What is the SMILES notation for 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol?
The canonical SMILES for 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol is CC(Nc1cc(F)ccc1Br)c1ccccc1O.
What is the InChIKey of 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol?
The InChIKey is HJZIVVWMGLMNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9(11-4-2-3-5-14(11)18)17-13-8-10(16)6-7-12(13)15/h2-9,17-18H,1H3.
What are the key properties of 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol?
2-[1-(2-bromo-5-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 2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol is sourced from PubChem (CID 107633370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).