2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine

C12H15F2N3O2 — CID 115509806

IUPAC2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine
SMILESCC(CN)(Nc1cc(F)cc(F)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15F2N3O2/c1-12(6-15,7-2-3-7)16-10-5-8(13)4-9(14)11(10)17(18)19/h4-5,7,16H,2-3,6,15H2,1H3
InChIKeySWGNBDFQJAFAPK-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.41
Rot. Bonds5

About 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine

2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine (PubChem CID 115509806) has the molecular formula C12H15F2N3O2 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine
PubChem CID115509806
Molecular FormulaC12H15F2N3O2
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine
SMILESCC(CN)(Nc1cc(F)cc(F)c1[N+](=O)[O-])C1CC1
InChIInChI=1S/C12H15F2N3O2/c1-12(6-15,7-2-3-7)16-10-5-8(13)4-9(14)11(10)17(18)19/h4-5,7,16H,2-3,6,15H2,1H3
InChIKeySWGNBDFQJAFAPK-UHFFFAOYSA-N
XLogP2.41
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.41
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'}

Analyze 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine 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

N-(3-cyclopentylpropyl)-3,5-difluoro-2-nitroaniline
CID 106012836
N'-(3,5-difluoro-2-nitrophenyl)propane-1,3-diamine
CID 115507547
N'-(3,5-difluoro-2-nitrophenyl)butane-1,4-diamine
CID 113325462
N-[(4-ethylcyclohexyl)methyl]-3,5-difluoro-2-nitroaniline
CID 115507763
2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine
CID 115509740
3,5-difluoro-2-nitro-N-pentylaniline
CID 113325497
5-(3,5-difluoro-2-nitroanilino)pentanamide
CID 106239018
N'-(3,5-difluoro-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 115509718
3,5-difluoro-2-nitro-N-(2,3,3-trimethylbutyl)aniline
CID 83144735
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]-3-nitrobenzamide
CID 115308107
N-(3-ethylcyclohexyl)-3,5-difluoro-2-nitroaniline
CID 115507980
2-cyclopropyl-2-N-(3-methyl-4-nitrophenyl)propane-1,2-diamine
CID 115308242

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine?
The IUPAC name of 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine (CID 115509806) is 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine.
What is the SMILES notation for 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine?
The canonical SMILES for 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine is CC(CN)(Nc1cc(F)cc(F)c1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine?
The InChIKey is SWGNBDFQJAFAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3O2/c1-12(6-15,7-2-3-7)16-10-5-8(13)4-9(14)11(10)17(18)19/h4-5,7,16H,2-3,6,15H2,1H3.
What are the key properties of 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine?
2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine has a molecular weight of 271.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-N-(3,5-difluoro-2-nitrophenyl)propane-1,2-diamine is sourced from PubChem (CID 115509806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).