1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine

C22H21NO — CID 142921868

IUPAC1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine
SMILESC=Cc1cc(C)ccc1/C(C)=N/c1cc(-c2ccoc2)ccc1C
InChIInChI=1S/C22H21NO/c1-5-18-12-15(2)6-9-21(18)17(4)23-22-13-19(8-7-16(22)3)20-10-11-24-14-20/h5-14H,1H2,2-4H3/b23-17+
InChIKeySLHLITVZXZYKBT-HAVVHWLPSA-N
MW315.42 g/mol
LogP6.35
Rot. Bonds4

About 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine

1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine (PubChem CID 142921868) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine.

Molecular Properties

Compound Name1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine
PubChem CID142921868
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine
SMILESC=Cc1cc(C)ccc1/C(C)=N/c1cc(-c2ccoc2)ccc1C
InChIInChI=1S/C22H21NO/c1-5-18-12-15(2)6-9-21(18)17(4)23-22-13-19(8-7-16(22)3)20-10-11-24-14-20/h5-14H,1H2,2-4H3/b23-17+
InChIKeySLHLITVZXZYKBT-HAVVHWLPSA-N
XLogP6.35
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.35
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 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine?
The IUPAC name of 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine (CID 142921868) is 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine.
What is the SMILES notation for 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine?
The canonical SMILES for 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine is C=Cc1cc(C)ccc1/C(C)=N/c1cc(-c2ccoc2)ccc1C.
What is the InChIKey of 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine?
The InChIKey is SLHLITVZXZYKBT-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H21NO/c1-5-18-12-15(2)6-9-21(18)17(4)23-22-13-19(8-7-16(22)3)20-10-11-24-14-20/h5-14H,1H2,2-4H3/b23-17+.
What are the key properties of 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine?
1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine has a molecular weight of 315.42 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine is sourced from PubChem (CID 142921868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).