4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile

C17H16N2O — CID 66364156

IUPAC4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile
SMILESCN(CC1Cc2ccccc2O1)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O/c1-19(15-8-6-13(11-18)7-9-15)12-16-10-14-4-2-3-5-17(14)20-16/h2-9,16H,10,12H2,1H3
InChIKeyCFZGNVXZKHCIQD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.00
Rot. Bonds3

About 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile

4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile (PubChem CID 66364156) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile
PubChem CID66364156
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile
SMILESCN(CC1Cc2ccccc2O1)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N2O/c1-19(15-8-6-13(11-18)7-9-15)12-16-10-14-4-2-3-5-17(14)20-16/h2-9,16H,10,12H2,1H3
InChIKeyCFZGNVXZKHCIQD-UHFFFAOYSA-N
XLogP3.00
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 66363965
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl-methylamino]propanenitrile
CID 7335000
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanenitrile
CID 3112650
2-[2,3-dihydro-1-benzofuran-2-ylmethyl(ethyl)amino]acetonitrile
CID 66363771
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 131901755
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-fluorobenzonitrile
CID 61003812
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 91843062
N'-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 66346636
2-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-N-methyl-1,3,4-thiadiazole-2,5-diamine
CID 146045313
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999
4-(aminomethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethylaniline
CID 66346823

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile?
The IUPAC name of 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile (CID 66364156) is 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile.
What is the SMILES notation for 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile?
The canonical SMILES for 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile is CN(CC1Cc2ccccc2O1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile?
The InChIKey is CFZGNVXZKHCIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(15-8-6-13(11-18)7-9-15)12-16-10-14-4-2-3-5-17(14)20-16/h2-9,16H,10,12H2,1H3.
What are the key properties of 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile?
4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile has a molecular weight of 264.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]benzonitrile is sourced from PubChem (CID 66364156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).