4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile

C16H14N2O2 — CID 2435222

IUPAC4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
SMILESCOc1ccccc1C=NOCc1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-19-16-5-3-2-4-15(16)11-18-20-12-14-8-6-13(10-17)7-9-14/h2-9,11H,12H2,1H3
InChIKeyJSTZQDIRJZJOCC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds5

About 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile

4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile (PubChem CID 2435222) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile.

Molecular Properties

Compound Name4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
PubChem CID2435222
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
SMILESCOc1ccccc1C=NOCc1ccc(C#N)cc1
InChIInChI=1S/C16H14N2O2/c1-19-16-5-3-2-4-15(16)11-18-20-12-14-8-6-13(10-17)7-9-14/h2-9,11H,12H2,1H3
InChIKeyJSTZQDIRJZJOCC-UHFFFAOYSA-N
XLogP3.12
TPSA54.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
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

1-(2-methoxyphenyl)-N-phenylmethoxymethanimine
CID 75981021
methyl 4-[[(E)-(2-methoxyphenyl)methylideneamino]oxymethyl]benzoate
CID 6905552
4-[[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2457929
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
4-[[(4-ethoxy-3-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile
CID 2444807
4-[[(4-fluorophenyl)methylideneamino]oxymethyl]benzonitrile
CID 75265021
4-[[2-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]phenoxy]methyl]benzonitrile
CID 92658404
methyl 4-[(E)-(4-cyanophenyl)methoxyiminomethyl]benzoate
CID 6905546
4-[[2-[(Z)-(1,1,2,2,3,3,3-heptafluoropropylhydrazinylidene)methyl]-6-methoxyphenoxy]methyl]benzonitrile
CID 126056339
(Z)-N-[(3-bromo-4-methoxyphenyl)methoxy]-1-(2,3-dimethoxyphenyl)methanimine
CID 9354666
N'-[(4-cyanophenyl)methoxy]benzenecarboximidamide
CID 2479295
4-[2-[4-(2-methoxyphenyl)phenyl]ethyl]benzonitrile
CID 57057404

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
The IUPAC name of 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile (CID 2435222) is 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile.
What is the SMILES notation for 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
The canonical SMILES for 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile is COc1ccccc1C=NOCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
The InChIKey is JSTZQDIRJZJOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-19-16-5-3-2-4-15(16)11-18-20-12-14-8-6-13(10-17)7-9-14/h2-9,11H,12H2,1H3.
What are the key properties of 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile?
4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxyphenyl)methylideneamino]oxymethyl]benzonitrile is sourced from PubChem (CID 2435222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).