4-fluoro-N-(2-methylbutyl)-3-nitroaniline

C11H15FN2O2 — CID 43719224

IUPAC4-fluoro-N-(2-methylbutyl)-3-nitroaniline
SMILESCCC(C)CNc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15FN2O2/c1-3-8(2)7-13-9-4-5-10(12)11(6-9)14(15)16/h4-6,8,13H,3,7H2,1-2H3
InChIKeyQOGCUOMZQUKCSP-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.19
Rot. Bonds5

About 4-fluoro-N-(2-methylbutyl)-3-nitroaniline

4-fluoro-N-(2-methylbutyl)-3-nitroaniline (PubChem CID 43719224) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-fluoro-N-(2-methylbutyl)-3-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-(2-methylbutyl)-3-nitroaniline
PubChem CID43719224
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-fluoro-N-(2-methylbutyl)-3-nitroaniline
SMILESCCC(C)CNc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15FN2O2/c1-3-8(2)7-13-9-4-5-10(12)11(6-9)14(15)16/h4-6,8,13H,3,7H2,1-2H3
InChIKeyQOGCUOMZQUKCSP-UHFFFAOYSA-N
XLogP3.19
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.19
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

4-fluoro-N-(2-methylpentyl)-3-nitroaniline
CID 43719207
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
dihydroxy-(3-hydroxypropyl)-[4-(2-methylbutylamino)-2-nitrophenyl]azanium;hydrochloride
CID 19064120
4-fluoro-N-(2-methylbutyl)-3-(trifluoromethyl)aniline
CID 63453849
4-fluoro-N-(3-methylsulfanylpropyl)-3-nitroaniline
CID 43719223
4-chloro-N-(2,4-dimethylpentyl)-3-nitroaniline
CID 114200576
3-(4-fluoro-3-nitroanilino)-2-methylbutan-2-ol
CID 65338241
N-[(4-chlorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43232414
methyl 2-fluoro-5-(2-methylbutylamino)benzoate
CID 43715350
2-(4-fluoro-3-nitroanilino)-N-propylacetamide
CID 32897607
N-(2-methylbutyl)-2-nitroaniline
CID 43718114
2-methyl-N-(2-methylbutyl)-6-nitroaniline
CID 115551443

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methylbutyl)-3-nitroaniline?
The IUPAC name of 4-fluoro-N-(2-methylbutyl)-3-nitroaniline (CID 43719224) is 4-fluoro-N-(2-methylbutyl)-3-nitroaniline.
What is the SMILES notation for 4-fluoro-N-(2-methylbutyl)-3-nitroaniline?
The canonical SMILES for 4-fluoro-N-(2-methylbutyl)-3-nitroaniline is CCC(C)CNc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 4-fluoro-N-(2-methylbutyl)-3-nitroaniline?
The InChIKey is QOGCUOMZQUKCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-3-8(2)7-13-9-4-5-10(12)11(6-9)14(15)16/h4-6,8,13H,3,7H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-methylbutyl)-3-nitroaniline?
4-fluoro-N-(2-methylbutyl)-3-nitroaniline has a molecular weight of 226.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methylbutyl)-3-nitroaniline is sourced from PubChem (CID 43719224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).