4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile

C23H24N2 — CID 10359169

IUPAC4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile
SMILESCCN(CC)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C23H24N2/c1-3-25(4-2)14-13-18-5-10-23-16-22(12-11-21(23)15-18)20-8-6-19(17-24)7-9-20/h5-12,15-16H,3-4,13-14H2,1-2H3
InChIKeyJPXFWLSXGHUHRY-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.26
Rot. Bonds6

About 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile

4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile (PubChem CID 10359169) has the molecular formula C23H24N2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile
PubChem CID10359169
Molecular FormulaC23H24N2
Molecular Weight328.46 g/mol
Exact Mass328.19
IUPAC Name4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile
SMILESCCN(CC)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C23H24N2/c1-3-25(4-2)14-13-18-5-10-23-16-22(12-11-21(23)15-18)20-8-6-19(17-24)7-9-20/h5-12,15-16H,3-4,13-14H2,1-2H3
InChIKeyJPXFWLSXGHUHRY-UHFFFAOYSA-N
XLogP5.26
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile (CID 10359169) is 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile is CCN(CC)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile?
The InChIKey is JPXFWLSXGHUHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2/c1-3-25(4-2)14-13-18-5-10-23-16-22(12-11-21(23)15-18)20-8-6-19(17-24)7-9-20/h5-12,15-16H,3-4,13-14H2,1-2H3.
What are the key properties of 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile?
4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile has a molecular weight of 328.46 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(diethylamino)ethyl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 10359169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).