N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline

C14H20FN3O2 — CID 103594201

IUPACN-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
SMILESCc1cc(NC2CCCCC2CN)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H20FN3O2/c1-9-6-13(14(18(19)20)7-11(9)15)17-12-5-3-2-4-10(12)8-16/h6-7,10,12,17H,2-5,8,16H2,1H3
InChIKeyGUVABDHJDACCGA-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline

N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline (PubChem CID 103594201) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
PubChem CID103594201
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
SMILESCc1cc(NC2CCCCC2CN)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H20FN3O2/c1-9-6-13(14(18(19)20)7-11(9)15)17-12-5-3-2-4-10(12)8-16/h6-7,10,12,17H,2-5,8,16H2,1H3
InChIKeyGUVABDHJDACCGA-UHFFFAOYSA-N
XLogP2.97
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
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

4-fluoro-N-(2-methoxycyclopentyl)-5-methyl-2-nitroaniline
CID 103591652
1-cyclohexyl-N-(4-fluoro-5-methyl-2-nitrophenyl)ethane-1,2-diamine
CID 103594245
N-(4-fluoro-5-methyl-2-nitrophenyl)bicyclo[2.2.1]heptan-2-amine
CID 103591737
N-cyclopent-3-en-1-yl-4-fluoro-5-methyl-2-nitroaniline
CID 103591889
2-N-(4-fluoro-5-methoxy-2-nitrophenyl)cyclohexane-1,2-diamine
CID 63597632
N-(4,4-dimethylcyclohexyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591733
[2-(4-methyl-2-nitroanilino)cyclohexyl]methanol
CID 103846647
N-(2,2-dimethylcyclopentyl)-4-fluoro-5-methyl-2-nitroaniline
CID 103591798
4-chloro-N-(2-ethylcyclohexyl)-2-nitroaniline
CID 55223833
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-fluoro-5-methyl-2-nitroaniline
CID 103594244
2-(4-fluoro-5-methyl-2-nitroanilino)acetamide
CID 103591433
(4-fluoro-5-methyl-2-nitrophenyl)hydrazine
CID 103591242

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline (CID 103594201) is N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline is Cc1cc(NC2CCCCC2CN)c([N+](=O)[O-])cc1F.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline?
The InChIKey is GUVABDHJDACCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-9-6-13(14(18(19)20)7-11(9)15)17-12-5-3-2-4-10(12)8-16/h6-7,10,12,17H,2-5,8,16H2,1H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline?
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline has a molecular weight of 281.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-fluoro-5-methyl-2-nitroaniline is sourced from PubChem (CID 103594201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).