3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline

C15H15FN2O2 — CID 63011782

IUPAC3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline
SMILESCC(Cc1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-11(7-12-5-3-2-4-6-12)17-14-8-13(16)9-15(10-14)18(19)20/h2-6,8-11,17H,7H2,1H3
InChIKeyRNZOMJDCJGQDLP-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.78
Rot. Bonds5

About 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline

3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline (PubChem CID 63011782) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline.

Molecular Properties

Compound Name3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline
PubChem CID63011782
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline
SMILESCC(Cc1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H15FN2O2/c1-11(7-12-5-3-2-4-6-12)17-14-8-13(16)9-15(10-14)18(19)20/h2-6,8-11,17H,7H2,1H3
InChIKeyRNZOMJDCJGQDLP-UHFFFAOYSA-N
XLogP3.78
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.78
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

1-N-methyl-5-nitro-3-N-(1-phenylpropan-2-yl)benzene-1,3-diamine
CID 80810374
3-fluoro-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474560
3-fluoro-N-(4-methylpentan-2-yl)-5-nitroaniline
CID 60877643
3-fluoro-5-nitro-N-(1-thiophen-2-ylpropan-2-yl)aniline
CID 63292518
3-fluoro-5-nitro-N-pentan-2-ylaniline
CID 60876122
3-fluoro-N-(2-methyl-1-phenylpropyl)-5-nitroaniline
CID 107334467
5-(3-fluoro-5-nitroanilino)hexanoic acid
CID 82846998
3-fluoro-5-nitro-N-(2-phenylethyl)aniline
CID 60877252
N-(2,6-dimethylheptan-4-yl)-3-fluoro-5-nitroaniline
CID 107334601
3-fluoro-5-nitro-N-pentan-3-ylaniline
CID 60875735
3-fluoro-5-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 60875745
3-fluoro-N-(3-methylpentan-2-yl)-5-nitroaniline
CID 54950300

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline?
The IUPAC name of 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline (CID 63011782) is 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline.
What is the SMILES notation for 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline?
The canonical SMILES for 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline is CC(Cc1ccccc1)Nc1cc(F)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline?
The InChIKey is RNZOMJDCJGQDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-11(7-12-5-3-2-4-6-12)17-14-8-13(16)9-15(10-14)18(19)20/h2-6,8-11,17H,7H2,1H3.
What are the key properties of 3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline?
3-fluoro-5-nitro-N-(1-phenylpropan-2-yl)aniline has a molecular weight of 274.30 g/mol, XLogP of 3.78, 5 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-(1-phenylpropan-2-yl)aniline is sourced from PubChem (CID 63011782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).