4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol

C15H14Cl2FNO — CID 64794999

IUPAC4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
SMILESCCC(Nc1ccc(O)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-2-14(11-5-3-9(16)7-12(11)17)19-10-4-6-15(20)13(18)8-10/h3-8,14,19-20H,2H2,1H3
InChIKeyPRUDVWVPODTDOG-UHFFFAOYSA-N
MW314.19 g/mol
LogP5.40
Rot. Bonds4

About 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol

4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol (PubChem CID 64794999) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol.

Molecular Properties

Compound Name4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
PubChem CID64794999
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol
SMILESCCC(Nc1ccc(O)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14Cl2FNO/c1-2-14(11-5-3-9(16)7-12(11)17)19-10-4-6-15(20)13(18)8-10/h3-8,14,19-20H,2H2,1H3
InChIKeyPRUDVWVPODTDOG-UHFFFAOYSA-N
XLogP5.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.19
LogP ≤ 55.40
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-(2,4-dichlorophenyl)propyl]-3,4-difluoroaniline
CID 43503317
N-[1-(2,4-dichlorophenyl)propyl]-3,4,5-trifluoroaniline
CID 63478229
N-[1-(2,4-dichlorophenyl)propyl]-3-fluoro-4-methoxyaniline
CID 43503453
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
3-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 43503411
3-chloro-N-[1-(2,4-dichlorophenyl)propyl]-4-methylaniline
CID 43503285
N-[1-(2,4-dichlorophenyl)propyl]-4-methylsulfanylaniline
CID 43503298
4-bromo-3-chloro-N-[1-(2,4-dichlorophenyl)propyl]aniline
CID 107618733
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309
5-chloro-N-[1-(2,4-dichlorophenyl)propyl]-2-fluoroaniline
CID 43503454
N-[4-[1-(2,4-dichlorophenyl)propylamino]phenyl]acetamide
CID 112827917

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol?
The IUPAC name of 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol (CID 64794999) is 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol.
What is the SMILES notation for 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol?
The canonical SMILES for 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol is CCC(Nc1ccc(O)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol?
The InChIKey is PRUDVWVPODTDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-2-14(11-5-3-9(16)7-12(11)17)19-10-4-6-15(20)13(18)8-10/h3-8,14,19-20H,2H2,1H3.
What are the key properties of 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol?
4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol has a molecular weight of 314.19 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichlorophenyl)propylamino]-2-fluorophenol is sourced from PubChem (CID 64794999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).