2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile

C19H22N2O3 — CID 111122502

IUPAC2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile
SMILESCOc1ccc(C(CO)N(C)CCOc2ccccc2C#N)cc1
InChIInChI=1S/C19H22N2O3/c1-21(11-12-24-19-6-4-3-5-16(19)13-20)18(14-22)15-7-9-17(23-2)10-8-15/h3-10,18,22H,11-12,14H2,1-2H3
InChIKeyHRPLEJRGKJUMOM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds8

About 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile

2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile (PubChem CID 111122502) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile
PubChem CID111122502
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile
SMILESCOc1ccc(C(CO)N(C)CCOc2ccccc2C#N)cc1
InChIInChI=1S/C19H22N2O3/c1-21(11-12-24-19-6-4-3-5-16(19)13-20)18(14-22)15-7-9-17(23-2)10-8-15/h3-10,18,22H,11-12,14H2,1-2H3
InChIKeyHRPLEJRGKJUMOM-UHFFFAOYSA-N
XLogP2.61
TPSA65.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]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-(4-methoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 111122510
4-[[[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]methyl]benzonitrile
CID 95625791
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
CID 43569118
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-(benzenesulfinyl)ethyl-methylamino]-2-(4-methoxyphenyl)ethanol
CID 111122551
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-(4-methoxyphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]ethanol
CID 111122596
2-[2-(4-methoxyphenyl)sulfinylethoxy]benzonitrile
CID 64691895
2-[2-(dimethylamino)ethoxy]-4-methoxybenzonitrile
CID 22996186

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile (CID 111122502) is 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile is COc1ccc(C(CO)N(C)CCOc2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile?
The InChIKey is HRPLEJRGKJUMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(11-12-24-19-6-4-3-5-16(19)13-20)18(14-22)15-7-9-17(23-2)10-8-15/h3-10,18,22H,11-12,14H2,1-2H3.
What are the key properties of 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile?
2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile has a molecular weight of 326.40 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethoxy]benzonitrile is sourced from PubChem (CID 111122502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).