N-(2-ethylhexyl)-2-methyl-6-nitroaniline

C15H24N2O2 — CID 107816446

IUPACN-(2-ethylhexyl)-2-methyl-6-nitroaniline
SMILESCCCCC(CC)CNc1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-4-6-9-13(5-2)11-16-15-12(3)8-7-10-14(15)17(18)19/h7-8,10,13,16H,4-6,9,11H2,1-3H3
InChIKeyNSPIVXSLKHOCAX-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.53
Rot. Bonds8

About N-(2-ethylhexyl)-2-methyl-6-nitroaniline

N-(2-ethylhexyl)-2-methyl-6-nitroaniline (PubChem CID 107816446) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-methyl-6-nitroaniline.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-methyl-6-nitroaniline
PubChem CID107816446
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(2-ethylhexyl)-2-methyl-6-nitroaniline
SMILESCCCCC(CC)CNc1c(C)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N2O2/c1-4-6-9-13(5-2)11-16-15-12(3)8-7-10-14(15)17(18)19/h7-8,10,13,16H,4-6,9,11H2,1-3H3
InChIKeyNSPIVXSLKHOCAX-UHFFFAOYSA-N
XLogP4.53
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.53
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

2-methyl-N-(2-methylbutyl)-6-nitroaniline
CID 115551443
4-ethyl-6-(2-methyl-6-nitroanilino)hexanoic acid
CID 115551089
1-(2-methyl-6-nitroanilino)pentan-3-ol
CID 115702028
N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
CID 107816616
N-(2-butoxyethyl)-2-methyl-6-nitroaniline
CID 78918456
2-methyl-N-(2-methylsulfinylpropyl)-6-nitroaniline
CID 115764354
N-ethyl-N'-(2-methyl-6-nitrophenyl)propane-1,3-diamine
CID 115553819
4,5-dichloro-N-(2-ethylhexyl)-2-nitroaniline
CID 107816572
6-N-(2-ethylhexyl)-3-nitropyridine-2,6-diamine
CID 107816541
2-methyl-N-(2-methylpentan-2-yl)-6-nitroaniline
CID 113471825
2-methyl-N-(3-methylsulfinylbutyl)-6-nitroaniline
CID 115715738
N-(2-ethylhexyl)-6-nitropyridin-3-amine
CID 103614336

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-methyl-6-nitroaniline?
The IUPAC name of N-(2-ethylhexyl)-2-methyl-6-nitroaniline (CID 107816446) is N-(2-ethylhexyl)-2-methyl-6-nitroaniline.
What is the SMILES notation for N-(2-ethylhexyl)-2-methyl-6-nitroaniline?
The canonical SMILES for N-(2-ethylhexyl)-2-methyl-6-nitroaniline is CCCCC(CC)CNc1c(C)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2-ethylhexyl)-2-methyl-6-nitroaniline?
The InChIKey is NSPIVXSLKHOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-6-9-13(5-2)11-16-15-12(3)8-7-10-14(15)17(18)19/h7-8,10,13,16H,4-6,9,11H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)-2-methyl-6-nitroaniline?
N-(2-ethylhexyl)-2-methyl-6-nitroaniline has a molecular weight of 264.37 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-methyl-6-nitroaniline is sourced from PubChem (CID 107816446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).