4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile

C17H18N2O2 — CID 60676906

IUPAC4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile
SMILESCOc1ccccc1OCCNCc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-20-16-4-2-3-5-17(16)21-11-10-19-13-15-8-6-14(12-18)7-9-15/h2-9,19H,10-11,13H2,1H3
InChIKeyJVHYOOOOIMXLPN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.74
Rot. Bonds7

About 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile

4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile (PubChem CID 60676906) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile
PubChem CID60676906
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile
SMILESCOc1ccccc1OCCNCc1ccc(C#N)cc1
InChIInChI=1S/C17H18N2O2/c1-20-16-4-2-3-5-17(16)21-11-10-19-13-15-8-6-14(12-18)7-9-15/h2-9,19H,10-11,13H2,1H3
InChIKeyJVHYOOOOIMXLPN-UHFFFAOYSA-N
XLogP2.74
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]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

N-[[4-(chloromethyl)phenyl]methyl]-2-(2-methoxyphenoxy)ethanamine
CID 107232956
2-(2-methoxyphenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
CID 55378414
2-methoxy-4-[(2-phenoxyethylamino)methyl]benzonitrile
CID 106787317
2-(2-methoxyphenoxy)-N-[(3-phenylphenyl)methyl]ethanamine
CID 57196084
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
3-chloro-4-[2-(2-methoxyphenoxy)ethylamino]benzonitrile
CID 107807786
2-(2-ethoxyphenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 39392014
4-[[(4-cyanophenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787146
4-[[[3-(2-methoxyphenyl)sulfanyl-2-methylpropyl]amino]methyl]benzonitrile
CID 119115111
4-[3-(benzylamino)propoxy]-3-fluorobenzonitrile
CID 114783255
2-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 39388259

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile?
The IUPAC name of 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile (CID 60676906) is 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile is COc1ccccc1OCCNCc1ccc(C#N)cc1.
What is the InChIKey of 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile?
The InChIKey is JVHYOOOOIMXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-16-4-2-3-5-17(16)21-11-10-19-13-15-8-6-14(12-18)7-9-15/h2-9,19H,10-11,13H2,1H3.
What are the key properties of 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile?
4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenoxy)ethylamino]methyl]benzonitrile is sourced from PubChem (CID 60676906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).