N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline

C15H22N2O2 — CID 55223628

IUPACN-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
SMILESCc1cc(NCCC2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-12-11-14(7-8-15(12)17(18)19)16-10-9-13-5-3-2-4-6-13/h7-8,11,13,16H,2-6,9-10H2,1H3
InChIKeyBCSMXFMCABZJMZ-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.29
Rot. Bonds5

About N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline

N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline (PubChem CID 55223628) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
PubChem CID55223628
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-cyclohexylethyl)-3-methyl-4-nitroaniline
SMILESCc1cc(NCCC2CCCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H22N2O2/c1-12-11-14(7-8-15(12)17(18)19)16-10-9-13-5-3-2-4-6-13/h7-8,11,13,16H,2-6,9-10H2,1H3
InChIKeyBCSMXFMCABZJMZ-UHFFFAOYSA-N
XLogP4.29
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.29
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

3-methyl-4-nitro-N-(2-piperidin-3-ylethyl)aniline
CID 55248226
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CID 106749030
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559
5-(2-cyclopentylethylamino)-2-nitrobenzoic acid
CID 60731970
N,N'-bis(3-methyl-4-nitrophenyl)propane-1,3-diamine
CID 58611252
2-cyclohexyl-N-[(5-methyl-2-nitrophenyl)methyl]ethanamine
CID 142706093
N-(2-cyclopentylethyl)-2-methyl-5-nitroaniline
CID 63535583
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
2-cyclopropyl-2-N-(3-methyl-4-nitrophenyl)propane-1,2-diamine
CID 115308242
3-methyl-4-nitro-N-octylaniline
CID 55191806
3-(2-cyclohexylethylamino)-4-nitrobenzoic acid
CID 82770375
3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-4-nitroaniline
CID 61012733

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline?
The IUPAC name of N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline (CID 55223628) is N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline.
What is the SMILES notation for N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline?
The canonical SMILES for N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline is Cc1cc(NCCC2CCCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline?
The InChIKey is BCSMXFMCABZJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12-11-14(7-8-15(12)17(18)19)16-10-9-13-5-3-2-4-6-13/h7-8,11,13,16H,2-6,9-10H2,1H3.
What are the key properties of N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline?
N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-3-methyl-4-nitroaniline is sourced from PubChem (CID 55223628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).