N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline

C16H24N2O2 — CID 104757559

IUPACN-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCCC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(2)16(18(19)20)11-15(12)17-9-8-14-6-4-3-5-7-14/h10-11,14,17H,3-9H2,1-2H3
InChIKeyWEOBARLWZSHASP-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.59
Rot. Bonds5

About N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline

N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline (PubChem CID 104757559) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
PubChem CID104757559
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
SMILESCc1cc(C)c([N+](=O)[O-])cc1NCCC1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-12-10-13(2)16(18(19)20)11-15(12)17-9-8-14-6-4-3-5-7-14/h10-11,14,17H,3-9H2,1-2H3
InChIKeyWEOBARLWZSHASP-UHFFFAOYSA-N
XLogP4.59
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.59
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-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
CID 55223628
N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
CID 63535583
N-cyclooctyl-2-(2,4-dimethyl-5-nitroanilino)acetamide
CID 112768188
4-(2-cyclohexylethylamino)-3-nitrobenzoic acid
CID 63538491
N-(2,2-dimethylpropyl)-2,4-dimethyl-5-nitroaniline
CID 104757477
3-(2-cyclohexylethylamino)-4-nitrobenzoic acid
CID 82770375
N-(2-cyclopentylethyl)-5-methoxy-2-nitroaniline
CID 79034338
5-chloro-N-(cycloheptylmethyl)-2-methyl-4-nitroaniline
CID 104667823
2,4-dimethyl-5-nitro-N-octylaniline
CID 104757498
N-(2-cyclobutylethyl)-4-fluoro-2-nitroaniline
CID 115690021
3-(2-cyclopentylethylamino)-4-nitrobenzoic acid
CID 82784160
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
CID 104757489

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline?
The IUPAC name of N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline (CID 104757559) is N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline.
What is the SMILES notation for N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline?
The canonical SMILES for N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline is Cc1cc(C)c([N+](=O)[O-])cc1NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline?
The InChIKey is WEOBARLWZSHASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-10-13(2)16(18(19)20)11-15(12)17-9-8-14-6-4-3-5-7-14/h10-11,14,17H,3-9H2,1-2H3.
What are the key properties of N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline?
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline has a molecular weight of 276.38 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline is sourced from PubChem (CID 104757559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).