1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine

C16H16N2O3 — CID 3904507

IUPAC1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-3-21-15-7-4-13(5-8-15)11-17-16-9-6-14(18(19)20)10-12(16)2/h4-11H,3H2,1-2H3/b17-11+
InChIKeyMBDBUZZEFZIILI-GZTJUZNOSA-N
MW284.32 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine

1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine (PubChem CID 3904507) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
PubChem CID3904507
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine
SMILESCCOc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C16H16N2O3/c1-3-21-15-7-4-13(5-8-15)11-17-16-9-6-14(18(19)20)10-12(16)2/h4-11H,3H2,1-2H3/b17-11+
InChIKeyMBDBUZZEFZIILI-GZTJUZNOSA-N
XLogP4.05
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 5036579
N-(2,4-dimethylphenyl)-1-(4-nitrophenyl)methanimine
CID 792021
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
1-(4-ethoxyphenyl)-N-(7-nitro-9H-fluoren-2-yl)methanimine
CID 5136816
1-(6-ethoxy-1,3-benzodioxol-5-yl)-N-(2-methyl-4-nitrophenyl)methanimine
CID 126106659
N-(2,4-dimethylphenyl)-1-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methanimine
CID 126207770
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N,N-bis(4-ethoxyphenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 102288244
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
1-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]-2-methyl-5-nitrophenyl]methanimine
CID 56694143
2-[(4-ethoxyphenyl)iminomethyl]-4-nitrophenol
CID 710256
N-(4-chloro-3-nitrophenyl)-1-(4-ethoxyphenyl)methanimine
CID 767231

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine (CID 3904507) is 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine is CCOc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
The InChIKey is MBDBUZZEFZIILI-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-3-21-15-7-4-13(5-8-15)11-17-16-9-6-14(18(19)20)10-12(16)2/h4-11H,3H2,1-2H3/b17-11+.
What are the key properties of 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine?
1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine has a molecular weight of 284.32 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-(2-methyl-4-nitrophenyl)methanimine is sourced from PubChem (CID 3904507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).