N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine

C18H15NO2 — CID 681807

IUPACN-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H15NO2/c1-20-16-9-7-15(8-10-16)19-13-17-11-12-18(21-17)14-5-3-2-4-6-14/h2-13H,1H3/b19-13+
InChIKeyLOFNWALEXHZUGO-CPNJWEJPSA-N
MW277.32 g/mol
LogP4.71
Rot. Bonds4

About N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine

N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine (PubChem CID 681807) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine
PubChem CID681807
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC NameN-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine
SMILESCOc1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1
InChIInChI=1S/C18H15NO2/c1-20-16-9-7-15(8-10-16)19-13-17-11-12-18(21-17)14-5-3-2-4-6-14/h2-13H,1H3/b19-13+
InChIKeyLOFNWALEXHZUGO-CPNJWEJPSA-N
XLogP4.71
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.71
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 N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine?
The IUPAC name of N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine (CID 681807) is N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine?
The canonical SMILES for N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine is COc1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine?
The InChIKey is LOFNWALEXHZUGO-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H15NO2/c1-20-16-9-7-15(8-10-16)19-13-17-11-12-18(21-17)14-5-3-2-4-6-14/h2-13H,1H3/b19-13+.
What are the key properties of N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine?
N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine has a molecular weight of 277.32 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(5-phenylfuran-2-yl)methanimine is sourced from PubChem (CID 681807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).