4-[1-(4-fluoro-2-nitroanilino)propyl]phenol

C15H15FN2O3 — CID 43685294

IUPAC4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C15H15FN2O3/c1-2-13(10-3-6-12(19)7-4-10)17-14-8-5-11(16)9-15(14)18(20)21/h3-9,13,17,19H,2H2,1H3
InChIKeyRSBLNJMHRXDFQP-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.00
Rot. Bonds5

About 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol

4-[1-(4-fluoro-2-nitroanilino)propyl]phenol (PubChem CID 43685294) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol.

Molecular Properties

Compound Name4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
PubChem CID43685294
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
SMILESCCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C15H15FN2O3/c1-2-13(10-3-6-12(19)7-4-10)17-14-8-5-11(16)9-15(14)18(20)21/h3-9,13,17,19H,2H2,1H3
InChIKeyRSBLNJMHRXDFQP-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-(4-chloro-2-nitroanilino)propyl]phenol
CID 43686336
3-nitro-4-(1-phenylpropylamino)phenol
CID 43750945
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
4-[2-(4-fluoro-2-nitroanilino)propyl]phenol
CID 115494070
4-[1-(2-fluorophenyl)propylamino]-3-nitrophenol
CID 115994326
4-[1-(3-bromophenyl)propylamino]-3-nitrophenol
CID 43792213
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155
4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-2-nitroaniline
CID 133355616
N-[1-(4-bromophenyl)propyl]-4-chloro-2-nitroaniline
CID 43218013
4-iodo-2-nitro-N-(1-phenylpropyl)aniline
CID 66066089
4-bromo-5-fluoro-2-nitro-N-(1-phenylpropyl)aniline
CID 66111065
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol?
The IUPAC name of 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol (CID 43685294) is 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol.
What is the SMILES notation for 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol?
The canonical SMILES for 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol is CCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol?
The InChIKey is RSBLNJMHRXDFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-13(10-3-6-12(19)7-4-10)17-14-8-5-11(16)9-15(14)18(20)21/h3-9,13,17,19H,2H2,1H3.
What are the key properties of 4-[1-(4-fluoro-2-nitroanilino)propyl]phenol?
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol 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-(4-fluoro-2-nitroanilino)propyl]phenol is sourced from PubChem (CID 43685294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).