2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile

C15H16N2O — CID 82477297

IUPAC2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile
SMILESCCC(C)c1ccc(-c2coc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2O/c1-3-10(2)11-4-6-12(7-5-11)14-9-18-15(17)13(14)8-16/h4-7,9-10H,3,17H2,1-2H3
InChIKeyXXSUGJOKTNVNMG-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.91
Rot. Bonds3

About 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile

2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile (PubChem CID 82477297) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile
PubChem CID82477297
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile
SMILESCCC(C)c1ccc(-c2coc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2O/c1-3-10(2)11-4-6-12(7-5-11)14-9-18-15(17)13(14)8-16/h4-7,9-10H,3,17H2,1-2H3
InChIKeyXXSUGJOKTNVNMG-UHFFFAOYSA-N
XLogP3.91
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-4-ethylfuran-3-carbonitrile
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2-[amino-(4-butan-2-ylphenyl)methyl]butanenitrile
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2-amino-4-(furan-2-yl)furan-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile (CID 82477297) is 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile is CCC(C)c1ccc(-c2coc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile?
The InChIKey is XXSUGJOKTNVNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-10(2)11-4-6-12(7-5-11)14-9-18-15(17)13(14)8-16/h4-7,9-10H,3,17H2,1-2H3.
What are the key properties of 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile?
2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-butan-2-ylphenyl)furan-3-carbonitrile is sourced from PubChem (CID 82477297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).