N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline

C14H19FN2O2 — CID 103591798

IUPACN-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
SMILESCc1cc(NC2CCCC2(C)C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H19FN2O2/c1-9-7-11(12(17(18)19)8-10(9)15)16-13-5-4-6-14(13,2)3/h7-8,13,16H,4-6H2,1-3H3
InChIKeySCZRDOONELFXKQ-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.03
Rot. Bonds3

About N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline

N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline (PubChem CID 103591798) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
PubChem CID103591798
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC NameN-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
SMILESCc1cc(NC2CCCC2(C)C)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H19FN2O2/c1-9-7-11(12(17(18)19)8-10(9)15)16-13-5-4-6-14(13,2)3/h7-8,13,16H,4-6H2,1-3H3
InChIKeySCZRDOONELFXKQ-UHFFFAOYSA-N
XLogP4.03
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.03
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-(4,4-dimethylcyclohexyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591733
N-(2,2-dimethylcyclohexyl)-2,4-difluoro-5-nitroaniline
CID 79828572
N-(2,2-dimethylcyclopentyl)-4,5-dimethoxy-2-nitroaniline
CID 83005716
N-(2,2-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 79828651
N-(2,2-dimethylcyclopentyl)-2-methyl-3-nitroaniline
CID 79859590
N-cyclopent-3-en-1-yl-4-fluoro-5-methyl-2-nitroaniline
CID 103591889
N-(2,2-dimethylcyclopentyl)-4-fluoro-2-methylaniline
CID 79864742
4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
CID 103591652
2-(difluoromethyl)-N-(2,2-dimethylcyclopentyl)-4-nitroaniline
CID 79871418
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594201
N-(4-fluoro-5-methyl-2-nitrophenyl)-3-methyloxolan-3-amine
CID 103591898
N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
CID 103591737

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline (CID 103591798) is N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline is Cc1cc(NC2CCCC2(C)C)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline?
The InChIKey is SCZRDOONELFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-7-11(12(17(18)19)8-10(9)15)16-13-5-4-6-14(13,2)3/h7-8,13,16H,4-6H2,1-3H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline?
N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline has a molecular weight of 266.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline is sourced from PubChem (CID 103591798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).