2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile

C15H16N2O2 — CID 96664729

IUPAC2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile
SMILESCCCCOc1ccc(-c2coc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2O2/c1-2-3-8-18-12-6-4-11(5-7-12)14-10-19-15(17)13(14)9-16/h4-7,10H,2-3,8,17H2,1H3
InChIKeyOEKJWWPJJHPKAM-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.58
Rot. Bonds5

About 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile

2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile (PubChem CID 96664729) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile
PubChem CID96664729
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile
SMILESCCCCOc1ccc(-c2coc(N)c2C#N)cc1
InChIInChI=1S/C15H16N2O2/c1-2-3-8-18-12-6-4-11(5-7-12)14-10-19-15(17)13(14)9-16/h4-7,10H,2-3,8,17H2,1H3
InChIKeyOEKJWWPJJHPKAM-UHFFFAOYSA-N
XLogP3.58
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
CID 69222371
2-amino-6-(4-ethoxyphenyl)-4-(4-hexoxyphenyl)pyridine-3-carbonitrile
CID 5241329
2,4-diamino-6-(4-hexoxyphenyl)pyrimidine-5-carbonitrile
CID 169396287
2-amino-4-(1H-pyrrol-3-yl)furan-3-carbonitrile
CID 82468114
4-(4-butoxyphenyl)-1,3-oxazol-2-amine
CID 95448867
2-amino-4-(4-hexoxyphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230485
4-decoxybenzonitrile
CID 19021371
2-amino-6-[4-(2-methylpropyl)phenyl]-4-(4-octoxyphenyl)pyridine-3-carbonitrile
CID 5088898
6-[4-(4-butoxyphenyl)phenoxy]hexanenitrile
CID 102269958
2,3-difluoro-4-(4-hexoxyphenyl)benzonitrile
CID 14548499
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile (CID 96664729) is 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile is CCCCOc1ccc(-c2coc(N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile?
The InChIKey is OEKJWWPJJHPKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-3-8-18-12-6-4-11(5-7-12)14-10-19-15(17)13(14)9-16/h4-7,10H,2-3,8,17H2,1H3.
What are the key properties of 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile?
2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-butoxyphenyl)furan-3-carbonitrile is sourced from PubChem (CID 96664729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).