N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine

C16H21FN2O2 — CID 114817805

IUPACN-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
SMILESO=[N+]([O-])c1ccc(F)cc1NC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-12-3-4-15(19(20)21)14(11-12)18-13-5-9-16(10-6-13)7-1-2-8-16/h3-4,11,13,18H,1-2,5-10H2
InChIKeyUYODASHJVACWGD-UHFFFAOYSA-N
MW292.35 g/mol
LogP4.65
Rot. Bonds3

About N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine

N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine (PubChem CID 114817805) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
PubChem CID114817805
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC NameN-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
SMILESO=[N+]([O-])c1ccc(F)cc1NC1CCC2(CCCC2)CC1
InChIInChI=1S/C16H21FN2O2/c17-12-3-4-15(19(20)21)14(11-12)18-13-5-9-16(10-6-13)7-1-2-8-16/h3-4,11,13,18H,1-2,5-10H2
InChIKeyUYODASHJVACWGD-UHFFFAOYSA-N
XLogP4.65
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 54.65
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

N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083848
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
5-(5-fluoro-2-nitroanilino)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 18549079
N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62375924
N-(4-fluoro-2-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43685316
N-(5-fluoro-2-nitrophenyl)-2-methylpiperidin-4-amine
CID 106996155
N-(3-ethylsulfanylcyclopentyl)-5-fluoro-2-nitroaniline
CID 107302339
N-(4,4-dimethylcyclohexyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591733
N-[1-(aminomethyl)cyclopentyl]-5-fluoro-2-nitroaniline
CID 63887235
1-[(5-fluoro-2-nitroanilino)methyl]cyclohexan-1-ol
CID 65110529
1-[(5-fluoro-2-nitroanilino)methyl]cycloheptan-1-ol
CID 65122641

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine?
The IUPAC name of N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine (CID 114817805) is N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine.
What is the SMILES notation for N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine?
The canonical SMILES for N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine is O=[N+]([O-])c1ccc(F)cc1NC1CCC2(CCCC2)CC1.
What is the InChIKey of N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine?
The InChIKey is UYODASHJVACWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-12-3-4-15(19(20)21)14(11-12)18-13-5-9-16(10-6-13)7-1-2-8-16/h3-4,11,13,18H,1-2,5-10H2.
What are the key properties of N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine?
N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine has a molecular weight of 292.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine is sourced from PubChem (CID 114817805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).