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

C13H12N2O — CID 115651342

IUPAC5-[(benzylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCc2ccccc2)o1
InChIInChI=1S/C13H12N2O/c14-8-12-6-7-13(16-12)10-15-9-11-4-2-1-3-5-11/h1-7,15H,9-10H2
InChIKeyRGBNNLORMFNUEG-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.44
Rot. Bonds4

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

5-[(benzylamino)methyl]furan-2-carbonitrile (PubChem CID 115651342) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-[(benzylamino)methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[(benzylamino)methyl]furan-2-carbonitrile
PubChem CID115651342
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name5-[(benzylamino)methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCc2ccccc2)o1
InChIInChI=1S/C13H12N2O/c14-8-12-6-7-13(16-12)10-15-9-11-4-2-1-3-5-11/h1-7,15H,9-10H2
InChIKeyRGBNNLORMFNUEG-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(4-methoxyphenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242815
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
CID 113242812
5-[[[4-(1H-pyrazol-5-yl)phenyl]methylamino]methyl]furan-2-carbonitrile
CID 115653945
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]furan-2-carbonitrile
CID 115651294
5-[[(2-methyl-4-phenylbutan-2-yl)amino]methyl]furan-2-carbonitrile
CID 115653747
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
N-[(5-ethylfuran-2-yl)methyl]-1-phenylmethanamine
CID 62344690
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[[[(1S)-1-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 114986469
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596

Frequently Asked Questions

What is the IUPAC name of 5-[(benzylamino)methyl]furan-2-carbonitrile?
The IUPAC name of 5-[(benzylamino)methyl]furan-2-carbonitrile (CID 115651342) is 5-[(benzylamino)methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[(benzylamino)methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[(benzylamino)methyl]furan-2-carbonitrile is N#Cc1ccc(CNCc2ccccc2)o1.
What is the InChIKey of 5-[(benzylamino)methyl]furan-2-carbonitrile?
The InChIKey is RGBNNLORMFNUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-8-12-6-7-13(16-12)10-15-9-11-4-2-1-3-5-11/h1-7,15H,9-10H2.
What are the key properties of 5-[(benzylamino)methyl]furan-2-carbonitrile?
5-[(benzylamino)methyl]furan-2-carbonitrile has a molecular weight of 212.25 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzylamino)methyl]furan-2-carbonitrile is sourced from PubChem (CID 115651342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).