2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile

C17H18N2O2 — CID 111544031

IUPAC2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN(CCO)c1ccccc1
InChIInChI=1S/C17H18N2O2/c18-14-15-6-4-5-9-17(15)21-13-11-19(10-12-20)16-7-2-1-3-8-16/h1-9,20H,10-13H2
InChIKeyWBPICHFPQOIBKT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.44
Rot. Bonds7

About 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile

2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile (PubChem CID 111544031) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
PubChem CID111544031
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile
SMILESN#Cc1ccccc1OCCN(CCO)c1ccccc1
InChIInChI=1S/C17H18N2O2/c18-14-15-6-4-5-9-17(15)21-13-11-19(10-12-20)16-7-2-1-3-8-16/h1-9,20H,10-13H2
InChIKeyWBPICHFPQOIBKT-UHFFFAOYSA-N
XLogP2.44
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[benzyl(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 110910679
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile
CID 61076936
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-(2-phenylphenoxy)ethoxy]benzonitrile
CID 22685600
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
CID 43288965
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573

Frequently Asked Questions

What is the IUPAC name of 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile (CID 111544031) is 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile is N#Cc1ccccc1OCCN(CCO)c1ccccc1.
What is the InChIKey of 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile?
The InChIKey is WBPICHFPQOIBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-14-15-6-4-5-9-17(15)21-13-11-19(10-12-20)16-7-2-1-3-8-16/h1-9,20H,10-13H2.
What are the key properties of 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile?
2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile has a molecular weight of 282.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[N-(2-hydroxyethyl)anilino]ethoxy]benzonitrile is sourced from PubChem (CID 111544031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).