1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine

C15H16FN3O2 — CID 115938724

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1
InChIInChI=1S/C15H16FN3O2/c1-2-14(15-7-6-12(16)10-18-15)17-9-11-4-3-5-13(8-11)19(20)21/h3-8,10,14,17H,2,9H2,1H3
InChIKeyZQLBDIPXCKKJOL-UHFFFAOYSA-N
MW289.31 g/mol
LogP3.37
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine (PubChem CID 115938724) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
PubChem CID115938724
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
SMILESCCC(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1
InChIInChI=1S/C15H16FN3O2/c1-2-14(15-7-6-12(16)10-18-15)17-9-11-4-3-5-13(8-11)19(20)21/h3-8,10,14,17H,2,9H2,1H3
InChIKeyZQLBDIPXCKKJOL-UHFFFAOYSA-N
XLogP3.37
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
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 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine 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

3-[[[(1R)-1-(5-fluoro-2-pyridinyl)propyl]amino]methyl]-N-methylbenzenesulfonamide
CID 99852096
1-(4-chlorophenyl)-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 43234886
3-methyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 61463702
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-nitroaniline
CID 83117361
N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 43179524
1-(5-fluoro-2-pyridinyl)-N-[(3-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583232
1-(5-ethyl-1,3-thiazol-2-yl)-N-[(3-nitrophenyl)methyl]ethanamine
CID 115679738
2-N-[(3-nitrophenyl)methyl]propane-1,2-diamine
CID 103389797
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
CID 115975737
1-methylsulfanyl-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 115639772
(2S)-1-methoxy-N-[(3-nitrophenyl)methyl]propan-2-amine
CID 872134

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine (CID 115938724) is 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine is CCC(NCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
The InChIKey is ZQLBDIPXCKKJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-2-14(15-7-6-12(16)10-18-15)17-9-11-4-3-5-13(8-11)19(20)21/h3-8,10,14,17H,2,9H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine has a molecular weight of 289.31 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(3-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 115938724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).