N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine

C20H22N2O3 — CID 23343969

IUPACN-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(COc2ccc(/C=N/C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c23-22(24)19-10-6-17(7-11-19)15-25-20-12-8-16(9-13-20)14-21-18-4-2-1-3-5-18/h6-14,18H,1-5,15H2/b21-14+
InChIKeyDYJRYMFFCWLNGJ-KGENOOAVSA-N
MW338.41 g/mol
LogP4.93
Rot. Bonds6

About N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine

N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine (PubChem CID 23343969) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine
PubChem CID23343969
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine
SMILESO=[N+]([O-])c1ccc(COc2ccc(/C=N/C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H22N2O3/c23-22(24)19-10-6-17(7-11-19)15-25-20-12-8-16(9-13-20)14-21-18-4-2-1-3-5-18/h6-14,18H,1-5,15H2/b21-14+
InChIKeyDYJRYMFFCWLNGJ-KGENOOAVSA-N
XLogP4.93
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.93
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

4-[(4-nitrophenyl)methoxy]benzaldehyde
CID 735836
1-[4-[(4-nitrophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126218574
1-nitro-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 561294
1-methyl-4-[(4-nitrophenoxy)methyl]benzene
CID 824912
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073
2-bromo-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245239
4-methyl-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 2279269
N-[(E)-[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-nitrobenzenesulfonamide
CID 17338070
N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 94847972
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
3-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridin-2-amine
CID 126097786
4-chloro-N-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 4534000

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine (CID 23343969) is N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine is O=[N+]([O-])c1ccc(COc2ccc(/C=N/C3CCCCC3)cc2)cc1.
What is the InChIKey of N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
The InChIKey is DYJRYMFFCWLNGJ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-22(24)19-10-6-17(7-11-19)15-25-20-12-8-16(9-13-20)14-21-18-4-2-1-3-5-18/h6-14,18H,1-5,15H2/b21-14+.
What are the key properties of N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine?
N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine has a molecular weight of 338.41 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[4-[(4-nitrophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 23343969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).