4-[2-(4-fluoro-2-nitroanilino)propyl]phenol

C15H15FN2O3 — CID 115494070

IUPAC4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10(8-11-2-5-13(19)6-3-11)17-14-7-4-12(16)9-15(14)18(20)21/h2-7,9-10,17,19H,8H2,1H3
InChIKeyARJMSTPXBOQUQX-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.48
Rot. Bonds5

About 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol

4-[2-(4-fluoro-2-nitroanilino)propyl]phenol (PubChem CID 115494070) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
PubChem CID115494070
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
SMILESCC(Cc1ccc(O)cc1)Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O3/c1-10(8-11-2-5-13(19)6-3-11)17-14-7-4-12(16)9-15(14)18(20)21/h2-7,9-10,17,19H,8H2,1H3
InChIKeyARJMSTPXBOQUQX-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
CID 114829151
N-[1-(4-fluorophenyl)propan-2-yl]-4-methyl-2-nitroaniline
CID 63541846
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
4-fluoro-N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43685298
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-[2-(5-fluoro-2-methylanilino)propyl]phenol
CID 115493921
4-[2-(4-fluoro-2-methoxyanilino)propyl]phenol
CID 115494278
N-[1-(4-fluorophenyl)propan-2-yl]-3-nitropyridin-4-amine
CID 62994861
1-N,1-N-diethyl-2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 115594916
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
4-fluoro-N-(4-methylsulfonylbutan-2-yl)-2-nitroaniline
CID 133386764
3-(4-fluoro-2-nitroanilino)-2-methylbutanoic acid
CID 113415980

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol?
The IUPAC name of 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol (CID 115494070) is 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol?
The canonical SMILES for 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol is CC(Cc1ccc(O)cc1)Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol?
The InChIKey is ARJMSTPXBOQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-10(8-11-2-5-13(19)6-3-11)17-14-7-4-12(16)9-15(14)18(20)21/h2-7,9-10,17,19H,8H2,1H3.
What are the key properties of 4-[2-(4-fluoro-2-nitroanilino)propyl]phenol?
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol 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-[2-(4-fluoro-2-nitroanilino)propyl]phenol is sourced from PubChem (CID 115494070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).