2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile

C18H20N2O2 — CID 110910679

IUPAC2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN(CCO)Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-14-17-8-4-5-9-18(17)22-13-11-20(10-12-21)15-16-6-2-1-3-7-16/h1-9,21H,10-13,15H2
InChIKeyKTIJTYZBABOQPB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.43
Rot. Bonds8

About 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile

2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile (PubChem CID 110910679) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
PubChem CID110910679
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN(CCO)Cc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-14-17-8-4-5-9-18(17)22-13-11-20(10-12-21)15-16-6-2-1-3-7-16/h1-9,21H,10-13,15H2
InChIKeyKTIJTYZBABOQPB-UHFFFAOYSA-N
XLogP2.43
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[benzyl(2-hydroxyethyl)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-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[benzyl-[2-(2-methylphenoxy)ethyl]amino]ethanol
CID 60685253
2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
CID 111544031
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
CID 61450560
2-[3-[benzyl(methyl)amino]propoxy]benzonitrile
CID 43288640
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-(4-aminophenoxy)ethyl-benzylamino]ethanol
CID 62114756
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile (CID 110910679) is 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile is N#Cc1ccccc1OCCN(CCO)Cc1ccccc1.
What is the InChIKey of 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile?
The InChIKey is KTIJTYZBABOQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-14-17-8-4-5-9-18(17)22-13-11-20(10-12-21)15-16-6-2-1-3-7-16/h1-9,21H,10-13,15H2.
What are the key properties of 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile?
2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 110910679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).