3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline

C15H15FN2O2 — CID 80752800

IUPAC3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccccc1Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-10(2)14-5-3-4-6-15(14)17-12-7-11(16)8-13(9-12)18(19)20/h3-10,17H,1-2H3
InChIKeyOTLJKNBIYFOISZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.60
Rot. Bonds4

About 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline

3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline (PubChem CID 80752800) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
PubChem CID80752800
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline
SMILESCC(C)c1ccccc1Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-10(2)14-5-3-4-6-15(14)17-12-7-11(16)8-13(9-12)18(19)20/h3-10,17H,1-2H3
InChIKeyOTLJKNBIYFOISZ-UHFFFAOYSA-N
XLogP4.60
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-(3-fluoro-5-nitrophenyl)naphthalen-1-amine
CID 80753070
3-chloro-2-fluoro-N-(3-fluoro-5-nitrophenyl)aniline
CID 80752174
3-fluoro-N-(2-methyl-1-phenylpropyl)-5-nitroaniline
CID 107334467
3-fluoro-N-(4-fluorophenyl)-5-nitroaniline
CID 80752071
5-bromo-N-(3-fluoro-5-nitrophenyl)-2-methylaniline
CID 80752415
3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline
CID 63011782
3-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 60875745
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylaniline
CID 80751738
2-nitro-4-phenyl-N-(2-propan-2-ylphenyl)aniline
CID 86729144
N-(3-fluoro-5-nitrophenyl)-1-methylpyrazol-3-amine
CID 79779709
N-(3-chloro-5-fluorophenyl)-3-fluoro-5-nitroaniline
CID 107368860
N-(3-fluoro-5-nitrophenyl)-2-methylpropanamide
CID 107335340

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline?
The IUPAC name of 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline (CID 80752800) is 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline.
What is the SMILES notation for 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline?
The canonical SMILES for 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline is CC(C)c1ccccc1Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline?
The InChIKey is OTLJKNBIYFOISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-10(2)14-5-3-4-6-15(14)17-12-7-11(16)8-13(9-12)18(19)20/h3-10,17H,1-2H3.
What are the key properties of 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline?
3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline has a molecular weight of 274.30 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-nitro-N-(2-propan-2-ylphenyl)aniline is sourced from PubChem (CID 80752800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).