8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C14H18FN3O2 — CID 62739526

IUPAC8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H18FN3O2/c1-16-9-6-10-2-3-11(7-9)17(10)14-5-4-12(18(19)20)8-13(14)15/h4-5,8-11,16H,2-3,6-7H2,1H3
InChIKeyZPVZFODZWDBZEX-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.45
Rot. Bonds3

About 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62739526) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62739526
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCNC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H18FN3O2/c1-16-9-6-10-2-3-11(7-9)17(10)14-5-4-12(18(19)20)8-13(14)15/h4-5,8-11,16H,2-3,6-7H2,1H3
InChIKeyZPVZFODZWDBZEX-UHFFFAOYSA-N
XLogP2.45
TPSA58.41 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 ≤ 52.45
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

8-(2-fluoro-4-nitrophenyl)-3-thia-8-azabicyclo[3.2.1]octane
CID 126483766
9-(2-fluoro-4-nitrophenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712608
3-(2-fluoro-4-nitrophenyl)-6-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 176615798
(2S,4S)-3-(2-fluoro-4-nitrophenyl)-4-methyl-2-(trifluoromethyl)-1,3-oxazolidine
CID 16659478
2-(2-fluoro-4-nitrophenyl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 133322945
1-(2-fluoro-4-nitrophenyl)-2,5-dihydropyrrole
CID 57310080
ethane;1-(2-fluoro-4-nitrophenyl)-4-(3-methylazetidin-1-yl)piperidine
CID 170748946
4-[1-(2-fluoro-4-nitrophenyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 133487540
1-(2-fluoro-4-nitrophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 91283730
3-bromo-1-(2-fluoro-4-nitrophenyl)pyrrolidin-2-one
CID 63788071
1-(2-fluoro-4-nitrophenyl)piperidine-4-carboxylic acid
CID 19624566
N-(3,5-dimethoxyphenyl)-1-(2-fluoro-4-nitrophenyl)piperidin-4-amine
CID 133337514

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62739526) is 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CNC1CC2CCC(C1)N2c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is ZPVZFODZWDBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-16-9-6-10-2-3-11(7-9)17(10)14-5-4-12(18(19)20)8-13(14)15/h4-5,8-11,16H,2-3,6-7H2,1H3.
What are the key properties of 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 279.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-4-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62739526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).