4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol

C17H20FNO — CID 106953694

IUPAC4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
SMILESCCC(Nc1cc(C)c(O)cc1C)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-15(13-7-5-6-8-14(13)18)19-16-9-12(3)17(20)10-11(16)2/h5-10,15,19-20H,4H2,1-3H3
InChIKeyHXEZBHGJFVANHO-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds4

About 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol

4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol (PubChem CID 106953694) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
PubChem CID106953694
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
SMILESCCC(Nc1cc(C)c(O)cc1C)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-15(13-7-5-6-8-14(13)18)19-16-9-12(3)17(20)10-11(16)2/h5-10,15,19-20H,4H2,1-3H3
InChIKeyHXEZBHGJFVANHO-UHFFFAOYSA-N
XLogP4.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
2-[1-(2-fluoro-5-methylanilino)propyl]phenol
CID 43122748
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-[1-[4-(dimethylamino)-2-methylanilino]propyl]phenol
CID 43676976
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol?
The IUPAC name of 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol (CID 106953694) is 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol?
The canonical SMILES for 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol is CCC(Nc1cc(C)c(O)cc1C)c1ccccc1F.
What is the InChIKey of 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol?
The InChIKey is HXEZBHGJFVANHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-15(13-7-5-6-8-14(13)18)19-16-9-12(3)17(20)10-11(16)2/h5-10,15,19-20H,4H2,1-3H3.
What are the key properties of 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol?
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol has a molecular weight of 273.35 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol is sourced from PubChem (CID 106953694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).