N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine

C14H17FN2O2 — CID 103591737

IUPACN-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(NC2CC3CCC2C3)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H17FN2O2/c1-8-4-13(14(17(18)19)7-11(8)15)16-12-6-9-2-3-10(12)5-9/h4,7,9-10,12,16H,2-3,5-6H2,1H3
InChIKeyDCRNZQMWDJBNCK-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.64
Rot. Bonds3

About N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine

N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 103591737) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID103591737
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC NameN-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
SMILESCc1cc(NC2CC3CCC2C3)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H17FN2O2/c1-8-4-13(14(17(18)19)7-11(8)15)16-12-6-9-2-3-10(12)5-9/h4,7,9-10,12,16H,2-3,5-6H2,1H3
InChIKeyDCRNZQMWDJBNCK-UHFFFAOYSA-N
XLogP3.64
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.64
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

4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
CID 103591652
N-cyclopent-3-en-1-yl-4-fluoro-5-methyl-2-nitroaniline
CID 103591889
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594201
N-(4,4-dimethylcyclohexyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591733
3-(2-bicyclo[2.2.1]heptanylamino)-4-nitrobenzonitrile
CID 104713705
N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591798
N-(4-fluoro-3-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 62810365
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242
N-(3-iodo-4-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
CID 106493267
5-bromo-4-fluoro-N-(2-methylcyclopentyl)-2-nitroaniline
CID 116737141
5-bromo-4-fluoro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 116736905
N-(4,5-dimethyl-2-nitrophenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 62100140

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine (CID 103591737) is N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine is Cc1cc(NC2CC3CCC2C3)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is DCRNZQMWDJBNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8-4-13(14(17(18)19)7-11(8)15)16-12-6-9-2-3-10(12)5-9/h4,7,9-10,12,16H,2-3,5-6H2,1H3.
What are the key properties of N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine?
N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 264.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103591737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).