2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline

C14H20N2O4 — CID 103826250

IUPAC2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
SMILESCOc1cc([N+](=O)[O-])ccc1NC1CCCC(OC)C1
InChIInChI=1S/C14H20N2O4/c1-19-12-5-3-4-10(8-12)15-13-7-6-11(16(17)18)9-14(13)20-2/h6-7,9-10,12,15H,3-5,8H2,1-2H3
InChIKeyQXYXFPUQQVLYBF-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.97
Rot. Bonds5

About 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline

2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline (PubChem CID 103826250) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
PubChem CID103826250
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline
SMILESCOc1cc([N+](=O)[O-])ccc1NC1CCCC(OC)C1
InChIInChI=1S/C14H20N2O4/c1-19-12-5-3-4-10(8-12)15-13-7-6-11(16(17)18)9-14(13)20-2/h6-7,9-10,12,15H,3-5,8H2,1-2H3
InChIKeyQXYXFPUQQVLYBF-UHFFFAOYSA-N
XLogP2.97
TPSA73.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3-methoxycyclohexyl)-4-nitroaniline
CID 103826236
N-(2-methoxy-4-nitrophenyl)oxepan-4-amine
CID 65081486
2-fluoro-N-(3-methoxycyclopentyl)-4-nitroaniline
CID 103082166
1-N-(2-methoxy-5-nitrophenyl)cyclohexane-1,3-diamine
CID 79458282
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
N-(3-methoxycyclohexyl)-2,5-dimethyl-4-nitroaniline
CID 106872073
N-(2-methoxy-4-nitrophenyl)-5-methylthiolan-3-amine
CID 79942640
1-N,3-N-bis(2,4-dinitrophenyl)cyclohexane-1,3-diamine
CID 155539944
3-(2-methoxy-4-nitrophenoxy)-N-methylcyclobutan-1-amine
CID 66352664
2-methoxy-N-(2-methylsulfonylcyclopentyl)-4-nitroaniline
CID 65044035
[4-(2-methoxy-4-nitroanilino)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 5131579
N-(3-cyclopropylcyclohexyl)-2-methyl-4-nitroaniline
CID 64594683

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline?
The IUPAC name of 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline (CID 103826250) is 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline.
What is the SMILES notation for 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline?
The canonical SMILES for 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline is COc1cc([N+](=O)[O-])ccc1NC1CCCC(OC)C1.
What is the InChIKey of 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline?
The InChIKey is QXYXFPUQQVLYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-12-5-3-4-10(8-12)15-13-7-6-11(16(17)18)9-14(13)20-2/h6-7,9-10,12,15H,3-5,8H2,1-2H3.
What are the key properties of 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline?
2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline has a molecular weight of 280.32 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxycyclohexyl)-4-nitroaniline is sourced from PubChem (CID 103826250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).