1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine

C15H15FN2O2 — CID 65017800

IUPAC1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
SMILESNC(Cc1ccccc1F)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O2/c16-14-7-3-1-5-11(14)9-13(17)10-12-6-2-4-8-15(12)18(19)20/h1-8,13H,9-10,17H2
InChIKeyCTNPVXYXOURMNG-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine

1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine (PubChem CID 65017800) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
PubChem CID65017800
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine
SMILESNC(Cc1ccccc1F)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C15H15FN2O2/c16-14-7-3-1-5-11(14)9-13(17)10-12-6-2-4-8-15(12)18(19)20/h1-8,13H,9-10,17H2
InChIKeyCTNPVXYXOURMNG-UHFFFAOYSA-N
XLogP2.85
TPSA69.16 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 ≤ 52.85
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-(2,2-difluoroethyl)-2-nitrobenzene
CID 142566464
1-(2-nitrophenyl)nonan-2-amine
CID 61078660
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
1,2-bis(2-nitrophenyl)ethanamine
CID 145318541
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
1-[1-chloro-2-(2-nitrophenyl)ethyl]-2,3-difluorobenzene
CID 63017760
1-(2-chlorophenyl)-4-(2-nitrophenyl)butan-2-amine
CID 65017978
2-(2-nitrophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475379
1-(4-bromophenyl)-3-(2-fluoro-3-nitrophenyl)propan-2-amine
CID 107353655
1,1,1-trifluoro-4-(2-nitrophenyl)butan-2-amine
CID 117047399
1-(2-nitrophenyl)pentan-3-amine
CID 43370528

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine (CID 65017800) is 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine is NC(Cc1ccccc1F)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine?
The InChIKey is CTNPVXYXOURMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-14-7-3-1-5-11(14)9-13(17)10-12-6-2-4-8-15(12)18(19)20/h1-8,13H,9-10,17H2.
What are the key properties of 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine?
1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine has a molecular weight of 274.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(2-nitrophenyl)propan-2-amine is sourced from PubChem (CID 65017800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).