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

C15H15BrFNO — CID 43194665

IUPAC4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C15H15BrFNO/c1-2-14(13-9-10(16)3-8-15(13)19)18-12-6-4-11(17)5-7-12/h3-9,14,18-19H,2H2,1H3
InChIKeyCZDYLCAFPPGFLY-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.86
Rot. Bonds4

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

4-bromo-2-[1-(4-fluoroanilino)propyl]phenol (PubChem CID 43194665) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
PubChem CID43194665
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-bromo-2-[1-(4-fluoroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)cc1)c1cc(Br)ccc1O
InChIInChI=1S/C15H15BrFNO/c1-2-14(13-9-10(16)3-8-15(13)19)18-12-6-4-11(17)5-7-12/h3-9,14,18-19H,2H2,1H3
InChIKeyCZDYLCAFPPGFLY-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-(4-ethoxyanilino)propyl]phenol
CID 43100870
4-bromo-2-[1-(2,4-difluoroanilino)propyl]phenol
CID 43110575
4-[1-(5-bromo-2-hydroxyphenyl)propylamino]benzoic acid
CID 43321641
4-bromo-2-[1-[4-(2-hydroxyethyl)anilino]propyl]phenol
CID 61237325
4-bromo-2-[1-(5-bromo-2-fluoroanilino)propyl]phenol
CID 43555358
4-bromo-2-[1-(thiophen-3-ylamino)propyl]phenol
CID 66349922
4-bromo-2-[1-(3-ethylanilino)propyl]phenol
CID 43105601
4-bromo-2-[(1R)-1-(hydroxyamino)propyl]phenol
CID 130067502
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-(1-benzothiophen-5-ylamino)propyl]-4-bromophenol
CID 43687860
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol?
The IUPAC name of 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol (CID 43194665) is 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol is CCC(Nc1ccc(F)cc1)c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol?
The InChIKey is CZDYLCAFPPGFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-2-14(13-9-10(16)3-8-15(13)19)18-12-6-4-11(17)5-7-12/h3-9,14,18-19H,2H2,1H3.
What are the key properties of 4-bromo-2-[1-(4-fluoroanilino)propyl]phenol?
4-bromo-2-[1-(4-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-bromo-2-[1-(4-fluoroanilino)propyl]phenol is sourced from PubChem (CID 43194665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).