(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium

C16H17N2O2+ — CID 173204840

IUPAC(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium
SMILESCOC(=N[NH+]=Cc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-19-15-10-6-7-13(11-15)12-17-18-16(20-2)14-8-4-3-5-9-14/h3-12H,1-2H3/p+1
InChIKeyXCXPYQDDFQLQID-UHFFFAOYSA-O
MW269.32 g/mol
LogP1.20
Rot. Bonds4

About (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium

(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium (PubChem CID 173204840) has the molecular formula C16H17N2O2+ and a molecular weight of 269.32 g/mol. Its IUPAC name is (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium.

Molecular Properties

Compound Name(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium
PubChem CID173204840
Molecular FormulaC16H17N2O2+
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium
SMILESCOC(=N[NH+]=Cc1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C16H16N2O2/c1-19-15-10-6-7-13(11-15)12-17-18-16(20-2)14-8-4-3-5-9-14/h3-12H,1-2H3/p+1
InChIKeyXCXPYQDDFQLQID-UHFFFAOYSA-O
XLogP1.20
TPSA44.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)methylidene-(phenylcarbamothioylamino)azanium
CID 3680298
N-[(E)-2-(3-methoxyphenyl)ethenyl]benzamide
CID 146295261
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
methyl N-hydroxybenzenecarboximidate
CID 583889
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
(E)-2,3-bis(3-methoxyphenyl)prop-2-enoic acid
CID 13378251
(E)-3-(3-methoxyphenyl)-1-(4-phenylphenyl)prop-2-en-1-one
CID 12632556
1-(3-methoxyphenyl)-N-[2-[(3-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 932000
N-[(E)-(3-methoxyphenyl)methylideneamino]methanamine
CID 110339403
1-methoxy-3-[(E)-2-methoxy-2-thionitrosoethenyl]benzene
CID 143675514
[3-(3-oxo-3-phenylprop-1-enyl)phenyl] 4-methoxybenzoate
CID 5088437
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium?
The IUPAC name of (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium (CID 173204840) is (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium.
What is the SMILES notation for (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium?
The canonical SMILES for (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium is COC(=N[NH+]=Cc1cccc(OC)c1)c1ccccc1.
What is the InChIKey of (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium?
The InChIKey is XCXPYQDDFQLQID-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N2O2/c1-19-15-10-6-7-13(11-15)12-17-18-16(20-2)14-8-4-3-5-9-14/h3-12H,1-2H3/p+1.
What are the key properties of (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium?
(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium has a molecular weight of 269.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium is sourced from PubChem (CID 173204840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).