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

C15H22N2O2 — CID 104757489

IUPAC2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC1CCCCC1C
InChIInChI=1S/C15H22N2O2/c1-10-6-4-5-7-13(10)16-14-9-15(17(18)19)12(3)8-11(14)2/h8-10,13,16H,4-7H2,1-3H3
InChIKeyXNYUWRPXWMNAAM-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.20
Rot. Bonds3

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

2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline (PubChem CID 104757489) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
PubChem CID104757489
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC1CCCCC1C
InChIInChI=1S/C15H22N2O2/c1-10-6-4-5-7-13(10)16-14-9-15(17(18)19)12(3)8-11(14)2/h8-10,13,16H,4-7H2,1-3H3
InChIKeyXNYUWRPXWMNAAM-UHFFFAOYSA-N
XLogP4.20
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.20
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

5-chloro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 43686013
5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912
5-bromo-4-fluoro-N-(2-methylcyclohexyl)-2-nitroaniline
CID 116736905
4-[(2-methylcyclohexyl)amino]-3-nitrobenzaldehyde
CID 78907044
N-(4,4-dimethylcyclohexyl)-2,4-dimethyl-5-nitroaniline
CID 104757636
4-N-(2,4-dimethyl-5-nitrophenyl)cyclohexane-1,4-diamine
CID 104757646
4-[(2-methylcyclohexyl)amino]-3-nitrobenzonitrile
CID 16960023
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-2-carboxamide
CID 107068565
N-(2,4-dimethyl-5-nitrophenyl)piperidin-3-amine
CID 104757390
5-bromo-4-fluoro-N-(2-methylcyclopentyl)-2-nitroaniline
CID 116737141
N-(2,4-dimethyl-5-nitrophenyl)-1-methylazepan-4-amine
CID 104757350
N-(2-cyclohexylethyl)-2,4-dimethyl-5-nitroaniline
CID 104757559

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline?
The IUPAC name of 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline (CID 104757489) is 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline.
What is the SMILES notation for 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline?
The canonical SMILES for 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline is Cc1cc(C)c([N+](=O)[O-])cc1NC1CCCCC1C.
What is the InChIKey of 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline?
The InChIKey is XNYUWRPXWMNAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-6-4-5-7-13(10)16-14-9-15(17(18)19)12(3)8-11(14)2/h8-10,13,16H,4-7H2,1-3H3.
What are the key properties of 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline?
2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methylcyclohexyl)-5-nitroaniline is sourced from PubChem (CID 104757489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).