N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine

C22H20N2O2 — CID 2457580

IUPACN-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
SMILESC(=NOCc1ccc(CON=Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-3-7-19(8-4-1)15-23-25-17-21-11-13-22(14-12-21)18-26-24-16-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyAJNWTYKWPCCBEK-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.79
Rot. Bonds8

About N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine

N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine (PubChem CID 2457580) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine.

Molecular Properties

Compound NameN-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
PubChem CID2457580
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
SMILESC(=NOCc1ccc(CON=Cc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H20N2O2/c1-3-7-19(8-4-1)15-23-25-17-21-11-13-22(14-12-21)18-26-24-16-20-9-5-2-6-10-20/h1-16H,17-18H2
InChIKeyAJNWTYKWPCCBEK-UHFFFAOYSA-N
XLogP4.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(4-chlorophenyl)methoxy]-1-phenylmethanimine
CID 117060747
(E)-1-(4-methoxyphenyl)-N-phenylmethoxymethanimine
CID 11499688
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methoxy]methanimine
CID 76856167
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(E)-1-(4-nitrophenyl)-N-phenylmethoxymethanimine
CID 13147214
[4-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]piperazin-1-yl]methanedithiol
CID 58131343
(E)-N-phenylmethoxy-1-(4-pyrrolidin-1-ylphenyl)methanimine
CID 21233808
4-[(E)-[3-[(E)-[3-[(E)-phenylmethoxyiminomethyl]phenoxy]iminomethyl]phenoxy]iminomethyl]phenol
CID 135462076
1-[4-[[(E)-benzylideneamino]oxymethyl]phenyl]-N-methyl-N-[[4-[[(E)-(4-nitrophenyl)methylideneamino]oxymethyl]phenyl]methyl]methanamine
CID 11038652
N-[(4-bromophenyl)methoxy]-1-(4-chlorophenyl)methanimine
CID 73380524
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
1-(5-methylfuran-2-yl)-N-phenylmethoxymethanimine
CID 75859441

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine?
The IUPAC name of N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine (CID 2457580) is N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine.
What is the SMILES notation for N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine?
The canonical SMILES for N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine is C(=NOCc1ccc(CON=Cc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine?
The InChIKey is AJNWTYKWPCCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-3-7-19(8-4-1)15-23-25-17-21-11-13-22(14-12-21)18-26-24-16-20-9-5-2-6-10-20/h1-16H,17-18H2.
What are the key properties of N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine?
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine has a molecular weight of 344.41 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine is sourced from PubChem (CID 2457580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).