4-methoxy-2-(2-methoxyethylamino)benzonitrile

C11H14N2O2 — CID 81298922

IUPAC4-methoxy-2-(2-methoxyethylamino)benzonitrile
SMILESCOCCNc1cc(OC)ccc1C#N
InChIInChI=1S/C11H14N2O2/c1-14-6-5-13-11-7-10(15-2)4-3-9(11)8-12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyIVEMTFMVAUYBGD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.63
Rot. Bonds5

About 4-methoxy-2-(2-methoxyethylamino)benzonitrile

4-methoxy-2-(2-methoxyethylamino)benzonitrile (PubChem CID 81298922) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-methoxy-2-(2-methoxyethylamino)benzonitrile.

Molecular Properties

Compound Name4-methoxy-2-(2-methoxyethylamino)benzonitrile
PubChem CID81298922
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-methoxy-2-(2-methoxyethylamino)benzonitrile
SMILESCOCCNc1cc(OC)ccc1C#N
InChIInChI=1S/C11H14N2O2/c1-14-6-5-13-11-7-10(15-2)4-3-9(11)8-12/h3-4,7,13H,5-6H2,1-2H3
InChIKeyIVEMTFMVAUYBGD-UHFFFAOYSA-N
XLogP1.63
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(5-methoxypentylamino)benzonitrile
CID 114130567
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
4-methoxy-2-(prop-2-enylamino)benzonitrile
CID 81299028
2-[2-(2-hydroxypropylamino)ethylamino]-4-methoxybenzonitrile
CID 104594310
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360
2-[[2-(dimethylamino)-2-methylpropyl]amino]-4-methoxybenzonitrile
CID 81300198
4-acetyl-2-[2-(4-methoxyphenoxy)ethylamino]benzonitrile
CID 133466180
N-[4-methoxy-2-(2-methoxyethylamino)phenyl]hydroxylamine
CID 130391172
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
4-methoxy-2-[[2-methyl-3-(methylamino)propyl]amino]benzonitrile
CID 113282602
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-methoxyethylamino)benzonitrile?
The IUPAC name of 4-methoxy-2-(2-methoxyethylamino)benzonitrile (CID 81298922) is 4-methoxy-2-(2-methoxyethylamino)benzonitrile.
What is the SMILES notation for 4-methoxy-2-(2-methoxyethylamino)benzonitrile?
The canonical SMILES for 4-methoxy-2-(2-methoxyethylamino)benzonitrile is COCCNc1cc(OC)ccc1C#N.
What is the InChIKey of 4-methoxy-2-(2-methoxyethylamino)benzonitrile?
The InChIKey is IVEMTFMVAUYBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-14-6-5-13-11-7-10(15-2)4-3-9(11)8-12/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of 4-methoxy-2-(2-methoxyethylamino)benzonitrile?
4-methoxy-2-(2-methoxyethylamino)benzonitrile has a molecular weight of 206.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-methoxyethylamino)benzonitrile is sourced from PubChem (CID 81298922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).