4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline

C12H15FN2O2 — CID 113245630

IUPAC4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
SMILESCCCC1CC1Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15FN2O2/c1-2-3-8-6-11(8)14-10-5-4-9(13)7-12(10)15(16)17/h4-5,7-8,11,14H,2-3,6H2,1H3
InChIKeySBBPKZOWTVWVGB-UHFFFAOYSA-N
MW238.26 g/mol
LogP3.33
Rot. Bonds5

About 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline

4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline (PubChem CID 113245630) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
PubChem CID113245630
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
SMILESCCCC1CC1Nc1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C12H15FN2O2/c1-2-3-8-6-11(8)14-10-5-4-9(13)7-12(10)15(16)17/h4-5,7-8,11,14H,2-3,6H2,1H3
InChIKeySBBPKZOWTVWVGB-UHFFFAOYSA-N
XLogP3.33
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 53.33
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'}

Analyze 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonyl-2-nitro-N-(2-propylcyclopropyl)aniline
CID 103710907
5-fluoro-2-nitro-N-(2-propylcyclopropyl)benzamide
CID 103713598
4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-N-(2-propylcyclopropyl)aniline
CID 133327525
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343
N-(4-fluoro-2-nitrophenyl)-2-methylpiperidin-3-amine
CID 114695569
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
4-fluoro-2-nitro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998709
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
CID 60640769
N-(4-fluoro-2-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465828
N-(4-fluoro-2-nitrophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 43599097
5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine
CID 103768273

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline?
The IUPAC name of 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline (CID 113245630) is 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline.
What is the SMILES notation for 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline?
The canonical SMILES for 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline is CCCC1CC1Nc1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline?
The InChIKey is SBBPKZOWTVWVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-2-3-8-6-11(8)14-10-5-4-9(13)7-12(10)15(16)17/h4-5,7-8,11,14H,2-3,6H2,1H3.
What are the key properties of 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline?
4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline has a molecular weight of 238.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline is sourced from PubChem (CID 113245630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).