N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine

C15H19FN2O3 — CID 133377810

IUPACN-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESO=[N+]([O-])c1c(F)cccc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19FN2O3/c16-12-4-3-5-13(14(12)18(19)20)17-11-6-9-21-15(10-11)7-1-2-8-15/h3-5,11,17H,1-2,6-10H2
InChIKeyAPHAFTIGIXOZHB-UHFFFAOYSA-N
MW294.33 g/mol
LogP3.64
Rot. Bonds3

About N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine

N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 133377810) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID133377810
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC NameN-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
SMILESO=[N+]([O-])c1c(F)cccc1NC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H19FN2O3/c16-12-4-3-5-13(14(12)18(19)20)17-11-6-9-21-15(10-11)7-1-2-8-15/h3-5,11,17H,1-2,6-10H2
InChIKeyAPHAFTIGIXOZHB-UHFFFAOYSA-N
XLogP3.64
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 53.64
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

N-(2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377777
N-(5-bromo-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377759
N-(2,4-dinitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133378052
N-(4-nitrophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 133377935
N-(2-methylsulfanylphenyl)-6-oxaspiro[4.5]decan-9-amine
CID 107644684
N-naphthalen-1-yl-6-oxaspiro[4.5]decan-9-amine
CID 79901355
N-(3-fluoro-2-nitrophenyl)piperidin-4-amine;hydrochloride
CID 53255785
2,2-dimethyl-N-(3-methyl-2-nitrophenyl)oxan-4-amine
CID 102605268
8-fluoro-2-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377639
N-(2,3-dimethylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79897570
N-(3-fluoro-2-methylphenyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895167
3-chloro-5-nitro-N-(6-oxaspiro[4.5]decan-9-yl)pyridin-2-amine
CID 133377795

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine (CID 133377810) is N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine is O=[N+]([O-])c1c(F)cccc1NC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is APHAFTIGIXOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c16-12-4-3-5-13(14(12)18(19)20)17-11-6-9-21-15(10-11)7-1-2-8-15/h3-5,11,17H,1-2,6-10H2.
What are the key properties of N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine?
N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 294.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 133377810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).