2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile

C18H20N2O — CID 61076936

IUPAC2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile
SMILESCCN(CCOc1ccccc1C#N)c1cccc(C)c1
InChIInChI=1S/C18H20N2O/c1-3-20(17-9-6-7-15(2)13-17)11-12-21-18-10-5-4-8-16(18)14-19/h4-10,13H,3,11-12H2,1-2H3
InChIKeyNIJRGCKQYQQLGW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.77
Rot. Bonds6

About 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile

2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile (PubChem CID 61076936) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile
PubChem CID61076936
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile
SMILESCCN(CCOc1ccccc1C#N)c1cccc(C)c1
InChIInChI=1S/C18H20N2O/c1-3-20(17-9-6-7-15(2)13-17)11-12-21-18-10-5-4-8-16(18)14-19/h4-10,13H,3,11-12H2,1-2H3
InChIKeyNIJRGCKQYQQLGW-UHFFFAOYSA-N
XLogP3.77
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile?
The IUPAC name of 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile (CID 61076936) is 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile.
What is the SMILES notation for 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile?
The canonical SMILES for 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile is CCN(CCOc1ccccc1C#N)c1cccc(C)c1.
What is the InChIKey of 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile?
The InChIKey is NIJRGCKQYQQLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-3-20(17-9-6-7-15(2)13-17)11-12-21-18-10-5-4-8-16(18)14-19/h4-10,13H,3,11-12H2,1-2H3.
What are the key properties of 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile?
2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethyl-3-methylanilino)ethoxy]benzonitrile is sourced from PubChem (CID 61076936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).