3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile

C17H18N2O2 — CID 104848009

IUPAC3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile
SMILESCOc1cccc(C(C)Nc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C17H18N2O2/c1-12(14-5-4-6-15(10-14)20-2)19-16-8-7-13(11-18)9-17(16)21-3/h4-10,12,19H,1-3H3
InChIKeyNIPZWOFNOAEISL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.75
Rot. Bonds5

About 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile

3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile (PubChem CID 104848009) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile
PubChem CID104848009
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile
SMILESCOc1cccc(C(C)Nc2ccc(C#N)cc2OC)c1
InChIInChI=1S/C17H18N2O2/c1-12(14-5-4-6-15(10-14)20-2)19-16-8-7-13(11-18)9-17(16)21-3/h4-10,12,19H,1-3H3
InChIKeyNIPZWOFNOAEISL-UHFFFAOYSA-N
XLogP3.75
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]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

2,4-dimethoxy-N-(1-phenylethyl)aniline
CID 11586940
4-(1-cyanoethylamino)-3-methoxybenzonitrile
CID 104848721
3-methoxy-4-(3-methylbutan-2-ylamino)benzonitrile
CID 104848054
3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 104843645
4-methyl-3-[3-[1-(methylamino)ethyl]phenoxy]benzonitrile
CID 107658671
2,4-dibromo-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43683196
4-[1-(2-hydroxy-5-methylphenyl)ethylamino]-3-methoxybenzonitrile
CID 104848020
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]cyclobut-3-ene-1,2-dione
CID 57475519
2-[1-(4-cyanophenyl)ethylamino]-4-methoxybenzonitrile
CID 81300170
3-bromo-4-[1-(3-fluoro-4-methoxyphenyl)ethylamino]benzonitrile
CID 43722799
4-[1-(4-bromo-2-chlorophenyl)ethylamino]-3-methoxybenzonitrile
CID 104848354
3-methoxy-4-[1-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 104848182

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile?
The IUPAC name of 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile (CID 104848009) is 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile?
The canonical SMILES for 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile is COc1cccc(C(C)Nc2ccc(C#N)cc2OC)c1.
What is the InChIKey of 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile?
The InChIKey is NIPZWOFNOAEISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(14-5-4-6-15(10-14)20-2)19-16-8-7-13(11-18)9-17(16)21-3/h4-10,12,19H,1-3H3.
What are the key properties of 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile?
3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(3-methoxyphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 104848009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).