1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine

C16H17NO2 — CID 578709

IUPAC1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine
SMILESCOc1ccc(/C=N/Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-11H,12H2,1-2H3/b17-11+
InChIKeyVULGBGGDBXPNCT-GZTJUZNOSA-N
MW255.32 g/mol
LogP3.32
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine (PubChem CID 578709) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine
PubChem CID578709
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine
SMILESCOc1ccc(/C=N/Cc2ccc(OC)cc2)cc1
InChIInChI=1S/C16H17NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-11H,12H2,1-2H3/b17-11+
InChIKeyVULGBGGDBXPNCT-GZTJUZNOSA-N
XLogP3.32
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine (CID 578709) is 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine is COc1ccc(/C=N/Cc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine?
The InChIKey is VULGBGGDBXPNCT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-11H,12H2,1-2H3/b17-11+.
What are the key properties of 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine?
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine has a molecular weight of 255.32 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanimine is sourced from PubChem (CID 578709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).