5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile

C17H18N2O2 — CID 65336194

IUPAC5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
SMILESCCOc1ccccc1NCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H18N2O2/c1-3-21-17-7-5-4-6-15(17)19-12-13-8-9-16(20-2)14(10-13)11-18/h4-10,19H,3,12H2,1-2H3
InChIKeyMIZYHTBRNOVIIK-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.58
Rot. Bonds6

About 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile

5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile (PubChem CID 65336194) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
PubChem CID65336194
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile
SMILESCCOc1ccccc1NCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C17H18N2O2/c1-3-21-17-7-5-4-6-15(17)19-12-13-8-9-16(20-2)14(10-13)11-18/h4-10,19H,3,12H2,1-2H3
InChIKeyMIZYHTBRNOVIIK-UHFFFAOYSA-N
XLogP3.58
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile 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

2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 28615869
5-[(2-chloroanilino)methyl]-2-methoxybenzonitrile
CID 65336198
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methoxyaniline
CID 28612218
5-[(3-ethoxyanilino)methyl]-2-methoxybenzonitrile
CID 65340614
5-[[2-(hydroxymethyl)anilino]methyl]-2-methoxybenzonitrile
CID 65340609
5-[[(2-chloro-3-pyridinyl)amino]methyl]-2-methoxybenzonitrile
CID 65340847
5-[(2,5-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336388
5-[(5-bromo-2-methoxyanilino)methyl]-2-methoxybenzonitrile
CID 65341007
5-chloro-2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 133285832
2-methoxy-4-[(2-methylsulfanylanilino)methyl]benzonitrile
CID 107644712
5-[(2,5-dimethylanilino)methyl]-2-methoxybenzonitrile
CID 65335959
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxybenzonitrile
CID 65336157

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile (CID 65336194) is 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile is CCOc1ccccc1NCc1ccc(OC)c(C#N)c1.
What is the InChIKey of 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile?
The InChIKey is MIZYHTBRNOVIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-17-7-5-4-6-15(17)19-12-13-8-9-16(20-2)14(10-13)11-18/h4-10,19H,3,12H2,1-2H3.
What are the key properties of 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile?
5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxyanilino)methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65336194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).