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

C15H15BrFNO — CID 43192631

IUPAC2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(Br)cc1F)c1ccccc1O
InChIInChI=1S/C15H15BrFNO/c1-2-13(11-5-3-4-6-15(11)19)18-14-8-7-10(16)9-12(14)17/h3-9,13,18-19H,2H2,1H3
InChIKeyHBIWWXMWJCXKQK-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.86
Rot. Bonds4

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

2-[1-(4-bromo-2-fluoroanilino)propyl]phenol (PubChem CID 43192631) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol.

Molecular Properties

Compound Name2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
PubChem CID43192631
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name2-[1-(4-bromo-2-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(Br)cc1F)c1ccccc1O
InChIInChI=1S/C15H15BrFNO/c1-2-13(11-5-3-4-6-15(11)19)18-14-8-7-10(16)9-12(14)17/h3-9,13,18-19H,2H2,1H3
InChIKeyHBIWWXMWJCXKQK-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

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[1-(2,4-difluoroanilino)propyl]phenol
CID 43110575
4-bromo-2-[1-(5-bromo-2-fluoroanilino)propyl]phenol
CID 43555358
4-[1-(4-bromo-2-fluoroanilino)propyl]phenol
CID 43192625
4-bromo-2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122763
4-bromo-2-[1-(2,5-difluoro-4-methylanilino)propyl]phenol
CID 103584719
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-[1-(2-chloro-4-fluoroanilino)propyl]phenol
CID 43150463
4-bromo-2-[1-(2-ethylanilino)propyl]phenol
CID 43095268
2-[1-(4-bromo-2,3-dichloroanilino)propyl]phenol
CID 107788052
2-[1-(2-ethoxy-4-fluoroanilino)propyl]phenol
CID 43730084
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
The IUPAC name of 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol (CID 43192631) is 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol.
What is the SMILES notation for 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
The canonical SMILES for 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol is CCC(Nc1ccc(Br)cc1F)c1ccccc1O.
What is the InChIKey of 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
The InChIKey is HBIWWXMWJCXKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-13(11-5-3-4-6-15(11)19)18-14-8-7-10(16)9-12(14)17/h3-9,13,18-19H,2H2,1H3.
What are the key properties of 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol?
2-[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 2-[1-(4-bromo-2-fluoroanilino)propyl]phenol is sourced from PubChem (CID 43192631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).