N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine

C20H19NO — CID 1272184

IUPACN-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C
InChIInChI=1S/C20H19NO/c1-14-8-10-19(15(2)12-14)21-13-18-17-7-5-4-6-16(17)9-11-20(18)22-3/h4-13H,1-3H3/b21-13+
InChIKeyLSTRGIANMXIYSQ-FYJGNVAPSA-N
MW289.38 g/mol
LogP5.22
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine

N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine (PubChem CID 1272184) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
PubChem CID1272184
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC NameN-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine
SMILESCOc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C
InChIInChI=1S/C20H19NO/c1-14-8-10-19(15(2)12-14)21-13-18-17-7-5-4-6-16(17)9-11-20(18)22-3/h4-13H,1-3H3/b21-13+
InChIKeyLSTRGIANMXIYSQ-FYJGNVAPSA-N
XLogP5.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.38
LogP ≤ 55.22
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-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine (CID 1272184) is N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine is COc1ccc2ccccc2c1/C=N/c1ccc(C)cc1C.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine?
The InChIKey is LSTRGIANMXIYSQ-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19NO/c1-14-8-10-19(15(2)12-14)21-13-18-17-7-5-4-6-16(17)9-11-20(18)22-3/h4-13H,1-3H3/b21-13+.
What are the key properties of N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine?
N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine has a molecular weight of 289.38 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(2-methoxynaphthalen-1-yl)methanimine is sourced from PubChem (CID 1272184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).