4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol

C15H15FN2O3 — CID 115994326

IUPAC4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
SMILESCCC(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C15H15FN2O3/c1-2-13(11-5-3-4-6-12(11)16)17-14-8-7-10(19)9-15(14)18(20)21/h3-9,13,17,19H,2H2,1H3
InChIKeyLDLIUBRLYWFIGF-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.00
Rot. Bonds5

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

4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol (PubChem CID 115994326) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
PubChem CID115994326
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
SMILESCCC(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1F
InChIInChI=1S/C15H15FN2O3/c1-2-13(11-5-3-4-6-12(11)16)17-14-8-7-10(19)9-15(14)18(20)21/h3-9,13,17,19H,2H2,1H3
InChIKeyLDLIUBRLYWFIGF-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
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

3-nitro-4-(1-phenylpropylamino)phenol
CID 43750945
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
2-[1-(2-fluoro-6-nitroanilino)propyl]phenol
CID 81306740
4-[1-(3-bromophenyl)propylamino]-3-nitrophenol
CID 43792213
4-[1-(4-chloro-2-nitroanilino)propyl]phenol
CID 43686336
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
3-[1-(2-fluorophenyl)propylamino]-2,6-dimethylphenol
CID 115994318
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
4-[1-(3-fluorophenyl)propan-2-ylamino]-3-nitrophenol
CID 114829151
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
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]-3-nitrophenol?
The IUPAC name of 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol (CID 115994326) is 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol.
What is the SMILES notation for 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol?
The canonical SMILES for 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol is CCC(Nc1ccc(O)cc1[N+](=O)[O-])c1ccccc1F.
What is the InChIKey of 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol?
The InChIKey is LDLIUBRLYWFIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-13(11-5-3-4-6-12(11)16)17-14-8-7-10(19)9-15(14)18(20)21/h3-9,13,17,19H,2H2,1H3.
What are the key properties of 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol?
4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol has a molecular weight of 290.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol is sourced from PubChem (CID 115994326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).