N-(2-methylcyclohexyl)-4-nitroaniline

C13H18N2O2 — CID 43079076

IUPACN-(2-methylcyclohexyl)-4-nitroaniline
SMILESCC1CCCCC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O2/c1-10-4-2-3-5-13(10)14-11-6-8-12(9-7-11)15(16)17/h6-10,13-14H,2-5H2,1H3
InChIKeyNPTGWSNFFRCABE-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.59
Rot. Bonds3

About N-(2-methylcyclohexyl)-4-nitroaniline

N-(2-methylcyclohexyl)-4-nitroaniline (PubChem CID 43079076) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-4-nitroaniline.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-4-nitroaniline
PubChem CID43079076
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-methylcyclohexyl)-4-nitroaniline
SMILESCC1CCCCC1Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H18N2O2/c1-10-4-2-3-5-13(10)14-11-6-8-12(9-7-11)15(16)17/h6-10,13-14H,2-5H2,1H3
InChIKeyNPTGWSNFFRCABE-UHFFFAOYSA-N
XLogP3.59
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.59
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

4-nitro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321658
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
2-[[(1S,2S)-2-methylcyclohexyl]amino]-5-nitrobenzoic acid
CID 29036587
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854
4-nitro-N-(2-pyrrolidin-2-ylcyclohexyl)aniline
CID 79536425
1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
CID 43598872
methyl 2-[(2-methylcyclohexyl)amino]-5-nitrobenzoate
CID 91678179
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
N-(2-methylcyclohexyl)-3-nitro-5-propoxyaniline
CID 80732060
N-(2-methylcyclopentyl)-4-nitro-2-(trifluoromethyl)aniline
CID 63540588
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
N-(2-methylcyclohexyl)-4-nitro-3-propoxyaniline
CID 63669905

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-4-nitroaniline?
The IUPAC name of N-(2-methylcyclohexyl)-4-nitroaniline (CID 43079076) is N-(2-methylcyclohexyl)-4-nitroaniline.
What is the SMILES notation for N-(2-methylcyclohexyl)-4-nitroaniline?
The canonical SMILES for N-(2-methylcyclohexyl)-4-nitroaniline is CC1CCCCC1Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methylcyclohexyl)-4-nitroaniline?
The InChIKey is NPTGWSNFFRCABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-4-2-3-5-13(10)14-11-6-8-12(9-7-11)15(16)17/h6-10,13-14H,2-5H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)-4-nitroaniline?
N-(2-methylcyclohexyl)-4-nitroaniline has a molecular weight of 234.30 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-4-nitroaniline is sourced from PubChem (CID 43079076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).