4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol

C15H15FN2O3 — CID 114829151

IUPAC4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
SMILESCC(Cc1cccc(F)c1)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10(7-11-3-2-4-12(16)8-11)17-14-6-5-13(19)9-15(14)18(20)21/h2-6,8-10,17,19H,7H2,1H3
InChIKeyUOGAEQWDOMNDQG-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.48
Rot. Bonds5

About 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol

4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol (PubChem CID 114829151) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
PubChem CID114829151
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
SMILESCC(Cc1cccc(F)c1)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10(7-11-3-2-4-12(16)8-11)17-14-6-5-13(19)9-15(14)18(20)21/h2-6,8-10,17,19H,7H2,1H3
InChIKeyUOGAEQWDOMNDQG-UHFFFAOYSA-N
XLogP3.48
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
2-[1-(3-fluorophenyl)propan-2-ylamino]-5-nitrobenzonitrile
CID 133307142
N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-nitroaniline
CID 63541846
4-(heptan-2-ylamino)-3-nitrophenol
CID 43750764
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
1-fluoro-3-(2-nitropropyl)benzene
CID 24721350
4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
CID 115994326
2-bromo-N-[1-(3-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827902
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-[(4-fluorophenyl)methylamino]-3-nitrophenol
CID 43750808
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol?
The IUPAC name of 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol (CID 114829151) is 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol.
What is the SMILES notation for 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol?
The canonical SMILES for 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol is CC(Cc1cccc(F)c1)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol?
The InChIKey is UOGAEQWDOMNDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10(7-11-3-2-4-12(16)8-11)17-14-6-5-13(19)9-15(14)18(20)21/h2-6,8-10,17,19H,7H2,1H3.
What are the key properties of 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol?
4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol has a molecular weight of 290.29 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol is sourced from PubChem (CID 114829151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).