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

C16H17NO — CID 3424439

IUPACN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine
SMILESCOc1ccc(C/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO/c1-13-3-5-14(6-4-13)11-17-12-15-7-9-16(18-2)10-8-15/h3-11H,12H2,1-2H3/b17-11+
InChIKeyILKBSWJGMDHDAZ-GZTJUZNOSA-N
MW239.32 g/mol
LogP3.62
Rot. Bonds4

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

N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine (PubChem CID 3424439) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine
PubChem CID3424439
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine
SMILESCOc1ccc(C/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H17NO/c1-13-3-5-14(6-4-13)11-17-12-15-7-9-16(18-2)10-8-15/h3-11H,12H2,1-2H3/b17-11+
InChIKeyILKBSWJGMDHDAZ-GZTJUZNOSA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine (CID 3424439) is N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine is COc1ccc(C/N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine?
The InChIKey is ILKBSWJGMDHDAZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-3-5-14(6-4-13)11-17-12-15-7-9-16(18-2)10-8-15/h3-11H,12H2,1-2H3/b17-11+.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine?
N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine has a molecular weight of 239.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 3424439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).