4-[1-(4-bromo-2-fluoroanilino)propyl]phenol

C15H15BrFNO — CID 43192625

IUPAC4-[1-(4-bromo-2-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(Br)cc1F)c1ccc(O)cc1
InChIInChI=1S/C15H15BrFNO/c1-2-14(10-3-6-12(19)7-4-10)18-15-8-5-11(16)9-13(15)17/h3-9,14,18-19H,2H2,1H3
InChIKeyQXVHXZXWHBENJR-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.86
Rot. Bonds4

About 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol

4-[1-(4-bromo-2-fluoroanilino)propyl]phenol (PubChem CID 43192625) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-bromo-2-fluoroanilino)propyl]phenol
PubChem CID43192625
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-[1-(4-bromo-2-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(Br)cc1F)c1ccc(O)cc1
InChIInChI=1S/C15H15BrFNO/c1-2-14(10-3-6-12(19)7-4-10)18-15-8-5-11(16)9-13(15)17/h3-9,14,18-19H,2H2,1H3
InChIKeyQXVHXZXWHBENJR-UHFFFAOYSA-N
XLogP4.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)propyl]-2,4-difluoroaniline
CID 102853099
2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192631
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
4-bromo-2-[1-(2,4-difluoroanilino)propyl]phenol
CID 43110575
5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
5-bromo-N-[1-(4-ethylphenyl)propyl]-2,4-difluoroaniline
CID 102852685
N-[1-(4-bromophenyl)propyl]-2-chloro-4-fluoroaniline
CID 43150469
4-[1-(4-bromo-2,6-dichloroanilino)propyl]phenol
CID 43126610
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-bromo-2-fluoro-N-heptan-4-ylaniline
CID 28517550
2-bromo-N-[1-(4-bromophenyl)propyl]-4-methylaniline
CID 43096177
2-fluoro-4-methyl-N-(1-phenylpropyl)aniline
CID 43114235

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
The IUPAC name of 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol (CID 43192625) is 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol.
What is the SMILES notation for 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
The canonical SMILES for 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol is CCC(Nc1ccc(Br)cc1F)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
The InChIKey is QXVHXZXWHBENJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-14(10-3-6-12(19)7-4-10)18-15-8-5-11(16)9-13(15)17/h3-9,14,18-19H,2H2,1H3.
What are the key properties of 4-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
4-[1-(4-bromo-2-fluoroanilino)propyl]phenol has a molecular weight of 324.19 g/mol, XLogP of 4.86, 4 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-fluoroanilino)propyl]phenol is sourced from PubChem (CID 43192625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).