2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile

C14H20N2O — CID 43288965

IUPAC2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1ccccc1C#N)C(C)C
InChIInChI=1S/C14H20N2O/c1-4-16(12(2)3)9-10-17-14-8-6-5-7-13(14)11-15/h5-8,12H,4,9-10H2,1-3H3
InChIKeySKRLMIMFBDHIQY-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile

2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile (PubChem CID 43288965) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
PubChem CID43288965
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile
SMILESCCN(CCOc1ccccc1C#N)C(C)C
InChIInChI=1S/C14H20N2O/c1-4-16(12(2)3)9-10-17-14-8-6-5-7-13(14)11-15/h5-8,12H,4,9-10H2,1-3H3
InChIKeySKRLMIMFBDHIQY-UHFFFAOYSA-N
XLogP2.67
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]ethoxy]benzonitrile
CID 61222956
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930
2-[2-[methyl(2-methylpropyl)amino]ethoxy]benzonitrile
CID 43289050
2-[2-(4-fluoro-N-methylanilino)ethoxy]benzonitrile
CID 61221871
2-[2-[1-cyclopropylethyl(methyl)amino]ethoxy]benzonitrile
CID 43569118
2-(2-butan-2-ylsulfonylethoxy)benzonitrile
CID 64691004
2-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzonitrile
CID 61234483
2-[2-[ethyl(pyridin-4-ylmethyl)amino]ethoxy]benzonitrile
CID 61450560
2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile
CID 61076936
2-[3-[3-(dimethylamino)propyl-methylamino]propoxy]benzonitrile
CID 63695573
2-[2-[3-hydroxypropyl(methyl)amino]ethoxy]benzonitrile
CID 113233526
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile?
The IUPAC name of 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile (CID 43288965) is 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile?
The canonical SMILES for 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile is CCN(CCOc1ccccc1C#N)C(C)C.
What is the InChIKey of 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile?
The InChIKey is SKRLMIMFBDHIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-16(12(2)3)9-10-17-14-8-6-5-7-13(14)11-15/h5-8,12H,4,9-10H2,1-3H3.
What are the key properties of 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile?
2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile has a molecular weight of 232.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(propan-2-yl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 43288965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).