5-[(2-methoxyanilino)methyl]furan-2-carbonitrile

C13H12N2O2 — CID 115742740

IUPAC5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
SMILESCOc1ccccc1NCc1ccc(C#N)o1
InChIInChI=1S/C13H12N2O2/c1-16-13-5-3-2-4-12(13)15-9-11-7-6-10(8-14)17-11/h2-7,15H,9H2,1H3
InChIKeyFNDADJXETRAQKU-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.77
Rot. Bonds4

About 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile

5-[(2-methoxyanilino)methyl]furan-2-carbonitrile (PubChem CID 115742740) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
PubChem CID115742740
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-[(2-methoxyanilino)methyl]furan-2-carbonitrile
SMILESCOc1ccccc1NCc1ccc(C#N)o1
InChIInChI=1S/C13H12N2O2/c1-16-13-5-3-2-4-12(13)15-9-11-7-6-10(8-14)17-11/h2-7,15H,9H2,1H3
InChIKeyFNDADJXETRAQKU-UHFFFAOYSA-N
XLogP2.77
TPSA58.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-tert-butyl-2-methoxyanilino)methyl]furan-2-carbonitrile
CID 115743415
5-[[2-(2-methoxyethyl)anilino]methyl]furan-2-carbonitrile
CID 102847714
5-[[2-(ethoxymethyl)anilino]methyl]furan-2-carbonitrile
CID 115671175
N-[4-[(5-cyanofuran-2-yl)methylamino]-2-methoxyphenyl]acetamide
CID 115652550
2-methoxy-N-[(5-nitrofuran-2-yl)methyl]aniline
CID 12957246
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
2-methoxy-N-[[5-(4-nitrophenyl)furan-2-yl]methyl]aniline
CID 956268
5-[(2-pyrazol-1-ylanilino)methyl]furan-2-carbonitrile
CID 115777643
5-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]furan-2-carbonitrile
CID 115748697
4-fluoro-2-[(2-methoxyanilino)methyl]benzonitrile
CID 103761075
5-[(4-bromo-2-methylanilino)methyl]furan-2-carbonitrile
CID 115909551
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile (CID 115742740) is 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile is COc1ccccc1NCc1ccc(C#N)o1.
What is the InChIKey of 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile?
The InChIKey is FNDADJXETRAQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-13-5-3-2-4-12(13)15-9-11-7-6-10(8-14)17-11/h2-7,15H,9H2,1H3.
What are the key properties of 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile?
5-[(2-methoxyanilino)methyl]furan-2-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyanilino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115742740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).