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

C13H18N2O3 — CID 61234483

IUPAC2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN(CCO)CCO
InChIInChI=1S/C13H18N2O3/c14-11-12-3-1-2-4-13(12)18-10-7-15(5-8-16)6-9-17/h1-4,16-17H,5-10H2
InChIKeyYQEHICBHTNSRAX-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.22
Rot. Bonds8

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

2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile (PubChem CID 61234483) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
PubChem CID61234483
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN(CCO)CCO
InChIInChI=1S/C13H18N2O3/c14-11-12-3-1-2-4-13(12)18-10-7-15(5-8-16)6-9-17/h1-4,16-17H,5-10H2
InChIKeyYQEHICBHTNSRAX-UHFFFAOYSA-N
XLogP0.22
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[bis(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-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679
2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
CID 111544031
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[2-methoxyethyl-[2-(2-methoxyphenoxy)ethyl]amino]ethanol
CID 115613810
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
CID 61450560
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile (CID 61234483) is 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile is N#Cc1ccccc1OCCN(CCO)CCO.
What is the InChIKey of 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile?
The InChIKey is YQEHICBHTNSRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c14-11-12-3-1-2-4-13(12)18-10-7-15(5-8-16)6-9-17/h1-4,16-17H,5-10H2.
What are the key properties of 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile?
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile has a molecular weight of 250.30 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 61234483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).