2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile

C17H16N2O2 — CID 61004887

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H16N2O2/c1-20-17-5-3-2-4-14(17)19-15(11-18)12-6-7-16-13(10-12)8-9-21-16/h2-7,10,15,19H,8-9H2,1H3
InChIKeyFVNHJLMZEVWSDW-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.31
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile

2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile (PubChem CID 61004887) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
PubChem CID61004887
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile
SMILESCOc1ccccc1NC(C#N)c1ccc2c(c1)CCO2
InChIInChI=1S/C17H16N2O2/c1-20-17-5-3-2-4-14(17)19-15(11-18)12-6-7-16-13(10-12)8-9-21-16/h2-7,10,15,19H,8-9H2,1H3
InChIKeyFVNHJLMZEVWSDW-UHFFFAOYSA-N
XLogP3.31
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile 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

N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methoxyaniline
CID 43757843
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylanilino)acetonitrile
CID 60986622
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005779
(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
2-(3-fluoro-4-hydroxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 107686157
2-(4-ethylphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005424
3-(2,3-dihydro-1-benzofuran-5-yl)-3-hydroxy-2-methylpropanenitrile
CID 79131894
2-(cyclohexylamino)-2-(2,3-dihydro-1-benzofuran-5-yl)acetonitrile
CID 54894336
N-[1-(2-methoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732693
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)acetonitrile
CID 43804562
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylprop-2-yn-1-amine
CID 104995435

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile (CID 61004887) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile is COc1ccccc1NC(C#N)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile?
The InChIKey is FVNHJLMZEVWSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-20-17-5-3-2-4-14(17)19-15(11-18)12-6-7-16-13(10-12)8-9-21-16/h2-7,10,15,19H,8-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile has a molecular weight of 280.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methoxyanilino)acetonitrile is sourced from PubChem (CID 61004887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).