5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile

C13H11ClN2O — CID 113242812

IUPAC5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C13H11ClN2O/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-6,16H,8-9H2
InChIKeyFXTJDXBULKPDKG-UHFFFAOYSA-N
MW246.70 g/mol
LogP3.09
Rot. Bonds4

About 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile

5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile (PubChem CID 113242812) has the molecular formula C13H11ClN2O and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
PubChem CID113242812
Molecular FormulaC13H11ClN2O
Molecular Weight246.70 g/mol
Exact Mass246.06
IUPAC Name5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile
SMILESN#Cc1ccc(CNCc2ccccc2Cl)o1
InChIInChI=1S/C13H11ClN2O/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-6,16H,8-9H2
InChIKeyFXTJDXBULKPDKG-UHFFFAOYSA-N
XLogP3.09
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-1-(2-chlorophenyl)methanamine
CID 60658982
5-[(benzylamino)methyl]furan-2-carbonitrile
CID 115651342
1-(2-chlorophenyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]methanamine
CID 43178065
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
3-chloro-4-[[(2-chlorophenyl)methylamino]methyl]benzonitrile
CID 102663839
5-[(2-bromo-3-chloroanilino)methyl]furan-2-carbonitrile
CID 103478709
5-[(4-cyanobutylamino)methyl]furan-2-carbonitrile
CID 115653264
5-[(2-methoxyethylamino)methyl]furan-2-carbonitrile
CID 115651300
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-(2-chlorophenyl)methanamine
CID 4724269
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
N-[(5-chlorofuran-2-yl)methyl]-1-(2-methylphenyl)methanamine
CID 60659041

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile (CID 113242812) is 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile is N#Cc1ccc(CNCc2ccccc2Cl)o1.
What is the InChIKey of 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile?
The InChIKey is FXTJDXBULKPDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O/c14-13-4-2-1-3-10(13)8-16-9-12-6-5-11(7-15)17-12/h1-6,16H,8-9H2.
What are the key properties of 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile?
5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile has a molecular weight of 246.70 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-chlorophenyl)methylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 113242812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).