N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline

C15H22N2O2 — CID 43719897

IUPACN-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCCC1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-4-6-13(7-5-12)16-15-9-8-14(17(18)19)10-11(15)2/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyMILNRKKZZKRGAG-UHFFFAOYSA-N
MW262.35 g/mol
LogP4.28
Rot. Bonds4

About N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline

N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline (PubChem CID 43719897) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
PubChem CID43719897
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
SMILESCCC1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-4-6-13(7-5-12)16-15-9-8-14(17(18)19)10-11(15)2/h8-10,12-13,16H,3-7H2,1-2H3
InChIKeyMILNRKKZZKRGAG-UHFFFAOYSA-N
XLogP4.28
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 54.28
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-methyl-4-nitrophenyl)-4-propylcycloheptan-1-amine
CID 65086964
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
4-ethyl-N-(2-fluoro-4-nitrophenyl)cycloheptan-1-amine
CID 65083703
N-(4-tert-butylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719899
1-cyclopropylsulfonyl-N-(2-methyl-4-nitrophenyl)piperidin-4-amine
CID 133348599
1-N-(4-ethylcyclohexyl)-2-methylbenzene-1,4-diamine
CID 54955528
N-(2-ethylcyclopropyl)-2-methyl-4-nitroaniline
CID 103720942
2-fluoro-5-nitro-N-(4-propylcyclohexyl)aniline
CID 43719007
N-(3,5-dimethylcyclohexyl)-2-methyl-4-nitroaniline
CID 64750773
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683
2-bromo-N-(4-ethylcyclohexyl)-4-methyl-5-nitroaniline
CID 104815054
N-(2-methyl-4-nitrophenyl)-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 71865369

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline?
The IUPAC name of N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline (CID 43719897) is N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline.
What is the SMILES notation for N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline?
The canonical SMILES for N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline is CCC1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline?
The InChIKey is MILNRKKZZKRGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-4-6-13(7-5-12)16-15-9-8-14(17(18)19)10-11(15)2/h8-10,12-13,16H,3-7H2,1-2H3.
What are the key properties of N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline?
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline has a molecular weight of 262.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline is sourced from PubChem (CID 43719897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).