N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine

C14H12N2O3 — CID 520164

IUPACN-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O3/c1-19-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16(17)18/h2-10H,1H3/b15-10+
InChIKeyMOFALIQXICGDFI-XNTDXEJSSA-N
MW256.26 g/mol
LogP3.35
Rot. Bonds4

About N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine

N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine (PubChem CID 520164) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
PubChem CID520164
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC NameN-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine
SMILESCOc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C14H12N2O3/c1-19-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16(17)18/h2-10H,1H3/b15-10+
InChIKeyMOFALIQXICGDFI-XNTDXEJSSA-N
XLogP3.35
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.35
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

N-(3-methoxyphenyl)-1-(2-nitrophenyl)methanimine
CID 4191287
N-(4-fluorophenyl)-1-(2-nitrophenyl)methanimine
CID 794265
1-(2-nitrophenyl)-N-[4-[[4-[(2-nitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine
CID 87673126
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
N-(3,5-dimethylphenyl)-1-(2-nitrophenyl)methanimine
CID 794546
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
N-(3-iodo-4-methylphenyl)-1-(2-nitrophenyl)methanimine
CID 1378215
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 3429052
2-[[4-(4-methylphenoxy)phenyl]iminomethyl]-6-nitrophenol
CID 137172966
N-(4-methoxyphenyl)-N'-[(E)-(2-nitrophenyl)methylideneamino]oxamide
CID 19660912
1-(2-nitrophenyl)-N-[4-[6-[4-[(2-nitrophenyl)methylideneamino]phenyl]pyrimidin-4-yl]phenyl]methanimine
CID 45146285
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine (CID 520164) is N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine is COc1ccc(/N=C/c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is MOFALIQXICGDFI-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-19-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)16(17)18/h2-10H,1H3/b15-10+.
What are the key properties of N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine?
N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine has a molecular weight of 256.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 520164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).