8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H18FN3O2 — CID 107350249

IUPAC8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H18FN3O2/c15-14-9(2-1-3-13(14)18(19)20)8-17-11-4-5-12(17)7-10(16)6-11/h1-3,10-12H,4-8,16H2
InChIKeyFSKOPGRTTUHKGN-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.19
Rot. Bonds3

About 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107350249) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107350249
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2Cc1cccc([N+](=O)[O-])c1F
InChIInChI=1S/C14H18FN3O2/c15-14-9(2-1-3-13(14)18(19)20)8-17-11-4-5-12(17)7-10(16)6-11/h1-3,10-12H,4-8,16H2
InChIKeyFSKOPGRTTUHKGN-UHFFFAOYSA-N
XLogP2.19
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.19
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'}

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Related Compounds

1-[(2-fluoro-3-nitrophenyl)methyl]-2,6-dimethylpiperazine
CID 107350272
(3S,4R)-1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidine-3,4-diol
CID 107350606
1-[(2-fluoro-3-nitrophenyl)methyl]piperidine-4-carboxamide
CID 107348066
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 107350343
2-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-yl]ethanol
CID 107348429
1-cyclopropyl-N-[(2-fluoro-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 107349090
8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232920
2-[1-[(2-fluoro-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 107350281
3-[[(2-fluoro-3-nitrophenyl)methylamino]methyl]cyclopentan-1-ol
CID 106129534
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 107350337
cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
CID 107350375
N-[(2-fluoro-3-nitrophenyl)methyl]-1-methylpiperidin-4-amine
CID 107348937

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 107350249) is 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2Cc1cccc([N+](=O)[O-])c1F.
What is the InChIKey of 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is FSKOPGRTTUHKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-14-9(2-1-3-13(14)18(19)20)8-17-11-4-5-12(17)7-10(16)6-11/h1-3,10-12H,4-8,16H2.
What are the key properties of 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluoro-3-nitrophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107350249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).