N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine

C27H22N2O2 — CID 14715139

IUPACN-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
SMILESC(=N/c1ccccc1)\c1ccccc1OCOc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C27H22N2O2/c1-3-13-24(14-4-1)28-19-22-11-7-9-17-26(22)30-21-31-27-18-10-8-12-23(27)20-29-25-15-5-2-6-16-25/h1-20H,21H2/b28-19+,29-20+
InChIKeyHTHHZIKRASVKII-JUWMQZRYSA-N
MW406.49 g/mol
LogP6.60
Rot. Bonds8

About N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine

N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine (PubChem CID 14715139) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
PubChem CID14715139
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC NameN-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine
SMILESC(=N/c1ccccc1)\c1ccccc1OCOc1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C27H22N2O2/c1-3-13-24(14-4-1)28-19-22-11-7-9-17-26(22)30-21-31-27-18-10-8-12-23(27)20-29-25-15-5-2-6-16-25/h1-20H,21H2/b28-19+,29-20+
InChIKeyHTHHZIKRASVKII-JUWMQZRYSA-N
XLogP6.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyphenyl)-N-phenylmethanimine
CID 961492
ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
ethane;N-methyl-1-[2-[[2-(methyliminomethyl)phenoxy]methoxy]phenyl]methanimine
CID 159320908
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
[2-(phenyliminomethyl)phenoxy] thiohypofluorite
CID 118561769
1-(2-ethoxyphenyl)-N-(4-methoxyphenyl)methanimine
CID 693656
2-ethoxy-6-(phenyliminomethyl)phenol
CID 135657442
2-[2-[(4-sulfanylphenyl)iminomethyl]phenoxy]acetaldehyde
CID 143730173
[2-(phenyliminomethyl)phenyl] benzenesulfonate
CID 126219717
N-(3,4-dichlorophenyl)-1-(2-phenylmethoxyphenyl)methanimine
CID 2202887
1-naphthalen-1-yl-N-phenylmethanimine
CID 615538
1-[2-[(4-chlorophenyl)iminomethyl]phenoxy]propan-2-one
CID 71070201

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
The IUPAC name of N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine (CID 14715139) is N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine.
What is the SMILES notation for N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
The canonical SMILES for N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine is C(=N/c1ccccc1)\c1ccccc1OCOc1ccccc1/C=N/c1ccccc1.
What is the InChIKey of N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
The InChIKey is HTHHZIKRASVKII-JUWMQZRYSA-N. The full InChI is InChI=1S/C27H22N2O2/c1-3-13-24(14-4-1)28-19-22-11-7-9-17-26(22)30-21-31-27-18-10-8-12-23(27)20-29-25-15-5-2-6-16-25/h1-20H,21H2/b28-19+,29-20+.
What are the key properties of N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine?
N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine has a molecular weight of 406.49 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-[[2-(phenyliminomethyl)phenoxy]methoxy]phenyl]methanimine is sourced from PubChem (CID 14715139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).