N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine

C20H20N2O — CID 45119718

IUPACN-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine
SMILESCCN(c1ccccc1)c1ccc(/C=N/c2ccc(C)cc2)o1
InChIInChI=1S/C20H20N2O/c1-3-22(18-7-5-4-6-8-18)20-14-13-19(23-20)15-21-17-11-9-16(2)10-12-17/h4-15H,3H2,1-2H3/b21-15+
InChIKeyDIWVGNQYFBQIES-RCCKNPSSSA-N
MW304.39 g/mol
LogP5.50
Rot. Bonds5

About N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine

N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine (PubChem CID 45119718) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine
PubChem CID45119718
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine
SMILESCCN(c1ccccc1)c1ccc(/C=N/c2ccc(C)cc2)o1
InChIInChI=1S/C20H20N2O/c1-3-22(18-7-5-4-6-8-18)20-14-13-19(23-20)15-21-17-11-9-16(2)10-12-17/h4-15H,3H2,1-2H3/b21-15+
InChIKeyDIWVGNQYFBQIES-RCCKNPSSSA-N
XLogP5.50
TPSA28.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.50
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-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine?
The IUPAC name of N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine (CID 45119718) is N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine.
What is the SMILES notation for N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine?
The canonical SMILES for N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine is CCN(c1ccccc1)c1ccc(/C=N/c2ccc(C)cc2)o1.
What is the InChIKey of N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine?
The InChIKey is DIWVGNQYFBQIES-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H20N2O/c1-3-22(18-7-5-4-6-8-18)20-14-13-19(23-20)15-21-17-11-9-16(2)10-12-17/h4-15H,3H2,1-2H3/b21-15+.
What are the key properties of N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine?
N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine has a molecular weight of 304.39 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(4-methylphenyl)iminomethyl]-N-phenylfuran-2-amine is sourced from PubChem (CID 45119718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).