(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine

C15H14N2O3 — CID 7705187

IUPAC(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
SMILESCc1ccc(/C=N\OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-12-2-4-13(5-3-12)10-16-20-11-14-6-8-15(9-7-14)17(18)19/h2-10H,11H2,1H3/b16-10-
InChIKeyXQMIYQDIPRHBHO-YBEGLDIGSA-N
MW270.29 g/mol
LogP3.45
Rot. Bonds5

About (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine

(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine (PubChem CID 7705187) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine.

Molecular Properties

Compound Name(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
PubChem CID7705187
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
SMILESCc1ccc(/C=N\OCc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C15H14N2O3/c1-12-2-4-13(5-3-12)10-16-20-11-14-6-8-15(9-7-14)17(18)19/h2-10H,11H2,1H3/b16-10-
InChIKeyXQMIYQDIPRHBHO-YBEGLDIGSA-N
XLogP3.45
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.45
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

(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
1-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]-N-methyl-N-[[4-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]phenyl]methyl]methanamine
CID 11038652
N-hydroxy-3-[4-[(E)-(4-nitrophenyl)methoxyiminomethyl]phenyl]prop-2-ynamide
CID 44592022
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
(NE)-4-methyl-N-[(4-nitrophenyl)methylidene]benzenesulfinamide
CID 15263571
(4-nitrophenyl)methyl (4-methylphenyl)methanesulfonate
CID 122480252
3,5-bis[(E)-(4-methylphenyl)methoxyiminomethyl]-1-(4-nitrophenyl)piperidin-4-one
CID 20850966
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
ethyl 3-[(E)-(4-nitrophenyl)methylideneamino]oxypropanoate
CID 11425592
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
The IUPAC name of (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine (CID 7705187) is (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine.
What is the SMILES notation for (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
The canonical SMILES for (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine is Cc1ccc(/C=N\OCc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
The InChIKey is XQMIYQDIPRHBHO-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-12-2-4-13(5-3-12)10-16-20-11-14-6-8-15(9-7-14)17(18)19/h2-10H,11H2,1H3/b16-10-.
What are the key properties of (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine?
(Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine has a molecular weight of 270.29 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-methylphenyl)-N-[(4-nitrophenyl)methoxy]methanimine is sourced from PubChem (CID 7705187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).