3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol

C17H20FNO — CID 115994318

IUPAC3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
SMILESCCC(Nc1ccc(C)c(O)c1C)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-15(13-7-5-6-8-14(13)18)19-16-10-9-11(2)17(20)12(16)3/h5-10,15,19-20H,4H2,1-3H3
InChIKeyJLPCXVRJXYRCFY-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.71
Rot. Bonds4

About 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol

3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol (PubChem CID 115994318) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
PubChem CID115994318
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
SMILESCCC(Nc1ccc(C)c(O)c1C)c1ccccc1F
InChIInChI=1S/C17H20FNO/c1-4-15(13-7-5-6-8-14(13)18)19-16-10-9-11(2)17(20)12(16)3/h5-10,15,19-20H,4H2,1-3H3
InChIKeyJLPCXVRJXYRCFY-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

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Related Compounds

3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
4-[1-(2-fluorophenyl)propylamino]-2,5-dimethylphenol
CID 106953694
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
3-[1-(4-ethylphenyl)propylamino]-2,6-dimethylphenol
CID 43741658
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901
4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
CID 115994326

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol (CID 115994318) is 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol is CCC(Nc1ccc(C)c(O)c1C)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol?
The InChIKey is JLPCXVRJXYRCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-15(13-7-5-6-8-14(13)18)19-16-10-9-11(2)17(20)12(16)3/h5-10,15,19-20H,4H2,1-3H3.
What are the key properties of 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol?
3-[1-(2-fluorophenyl)propylamino]-2,6-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 3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol is sourced from PubChem (CID 115994318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).