4-[2-(furan-2-yl)ethylamino]benzonitrile

C13H12N2O — CID 60701833

IUPAC4-[2-(furan-2-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ccco2)cc1
InChIInChI=1S/C13H12N2O/c14-10-11-3-5-12(6-4-11)15-8-7-13-2-1-9-16-13/h1-6,9,15H,7-8H2
InChIKeyFEMXHLHJVPMOPV-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.81
Rot. Bonds4

About 4-[2-(furan-2-yl)ethylamino]benzonitrile

4-[2-(furan-2-yl)ethylamino]benzonitrile (PubChem CID 60701833) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[2-(furan-2-yl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-[2-(furan-2-yl)ethylamino]benzonitrile
PubChem CID60701833
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name4-[2-(furan-2-yl)ethylamino]benzonitrile
SMILESN#Cc1ccc(NCCc2ccco2)cc1
InChIInChI=1S/C13H12N2O/c14-10-11-3-5-12(6-4-11)15-8-7-13-2-1-9-16-13/h1-6,9,15H,7-8H2
InChIKeyFEMXHLHJVPMOPV-UHFFFAOYSA-N
XLogP2.81
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-[2-(furan-2-yl)ethylamino]benzonitrile
CID 102815672
1-[(4-cyanophenyl)methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111354529
3-N-[2-(furan-2-yl)ethyl]benzene-1,3-diamine
CID 61469743
4-[2-[4-(hydroxymethyl)phenyl]ethylamino]benzonitrile
CID 133455339
3-(furan-2-ylmethylamino)-4-methylbenzonitrile
CID 62103900
5-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 115490683
1-(4-cyanophenyl)-3-[2-(furan-2-ylmethylsulfanyl)ethyl]urea
CID 3518746
4-cyano-N-[(2S)-4-(furan-2-yl)butan-2-yl]benzamide
CID 9141737
N-[2-(furan-2-yl)ethyl]-6-nitropyridin-3-amine
CID 60631962
4-(3-cyanopropylamino)benzonitrile
CID 28582716
N-[3-(furan-2-yl)propyl]-4-methoxyaniline;hydrochloride
CID 71444012
5-N-[2-(furan-2-yl)ethyl]-3-N-propylpyridine-3,5-diamine
CID 104533461

Frequently Asked Questions

What is the IUPAC name of 4-[2-(furan-2-yl)ethylamino]benzonitrile?
The IUPAC name of 4-[2-(furan-2-yl)ethylamino]benzonitrile (CID 60701833) is 4-[2-(furan-2-yl)ethylamino]benzonitrile.
What is the SMILES notation for 4-[2-(furan-2-yl)ethylamino]benzonitrile?
The canonical SMILES for 4-[2-(furan-2-yl)ethylamino]benzonitrile is N#Cc1ccc(NCCc2ccco2)cc1.
What is the InChIKey of 4-[2-(furan-2-yl)ethylamino]benzonitrile?
The InChIKey is FEMXHLHJVPMOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-10-11-3-5-12(6-4-11)15-8-7-13-2-1-9-16-13/h1-6,9,15H,7-8H2.
What are the key properties of 4-[2-(furan-2-yl)ethylamino]benzonitrile?
4-[2-(furan-2-yl)ethylamino]benzonitrile has a molecular weight of 212.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(furan-2-yl)ethylamino]benzonitrile is sourced from PubChem (CID 60701833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).