N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine

C15H21FN2O2 — CID 65083848

IUPACN-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21FN2O2/c1-15(2)8-3-4-12(7-9-15)17-13-6-5-11(16)10-14(13)18(19)20/h5-6,10,12,17H,3-4,7-9H2,1-2H3
InChIKeyOYARGLIMQFWMHG-UHFFFAOYSA-N
MW280.34 g/mol
LogP4.50
Rot. Bonds3

About N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine

N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65083848) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65083848
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C15H21FN2O2/c1-15(2)8-3-4-12(7-9-15)17-13-6-5-11(16)10-14(13)18(19)20/h5-6,10,12,17H,3-4,7-9H2,1-2H3
InChIKeyOYARGLIMQFWMHG-UHFFFAOYSA-N
XLogP4.50
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 54.50
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-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
4-[(4,4-dimethylcycloheptyl)amino]-3-nitrophenol
CID 65083241
N-(4-fluoro-2-nitrophenyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43685316
4-fluoro-2-nitro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998709
N-(4-fluoro-2-nitrophenyl)azepan-4-amine
CID 103981106
N-(4,4-dimethylcyclohexyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591733
N-(2-bromo-4-nitrophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083383
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
5-bromo-N-(3,3-dimethylcyclohexyl)-4-fluoro-2-nitroaniline
CID 116737260
N-(5-fluoro-2-nitrophenyl)spiro[4.5]decan-8-amine
CID 114817805
N-(4,4-dimethylcyclohexyl)-2-fluoro-5-methoxy-4-nitroaniline
CID 107260322
1-N-(4-fluoro-2-nitrophenyl)cyclobutane-1,3-diamine
CID 43599343

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine (CID 65083848) is N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1.
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is OYARGLIMQFWMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2)8-3-4-12(7-9-15)17-13-6-5-11(16)10-14(13)18(19)20/h5-6,10,12,17H,3-4,7-9H2,1-2H3.
What are the key properties of N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine?
N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 280.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65083848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).