2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile

C16H24N2O3 — CID 61222956

IUPAC2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
SMILESCOCCN(CCOc1ccccc1C#N)C(C)COC
InChIInChI=1S/C16H24N2O3/c1-14(13-20-3)18(8-10-19-2)9-11-21-16-7-5-4-6-15(16)12-17/h4-7,14H,8-11,13H2,1-3H3
InChIKeyDIXLYGQYJAEFDI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds10

About 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile

2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile (PubChem CID 61222956) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
PubChem CID61222956
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
SMILESCOCCN(CCOc1ccccc1C#N)C(C)COC
InChIInChI=1S/C16H24N2O3/c1-14(13-20-3)18(8-10-19-2)9-11-21-16-7-5-4-6-15(16)12-17/h4-7,14H,8-11,13H2,1-3H3
InChIKeyDIXLYGQYJAEFDI-UHFFFAOYSA-N
XLogP1.92
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]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-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-[2-(2-methylpentoxy)ethoxy]benzonitrile
CID 103283780
2-(2-methylpentoxy)benzonitrile
CID 62265352
2-[3-(3-methoxypropylsulfanyl)propoxy]benzonitrile
CID 63856464
2-[3-(dipropylamino)-2-hydroxypropoxy]benzonitrile
CID 43288624
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
CID 43569118
2-(methoxymethoxy)benzonitrile
CID 10352018
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-(4-methylpentoxy)ethoxy]benzonitrile
CID 43289722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile (CID 61222956) is 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile is COCCN(CCOc1ccccc1C#N)C(C)COC.
What is the InChIKey of 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
The InChIKey is DIXLYGQYJAEFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-14(13-20-3)18(8-10-19-2)9-11-21-16-7-5-4-6-15(16)12-17/h4-7,14H,8-11,13H2,1-3H3.
What are the key properties of 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile?
2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile has a molecular weight of 292.38 g/mol, XLogP of 1.92, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 61222956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).