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

C21H20N2 — CID 10470098

IUPAC4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile
SMILESCN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C21H20N2/c1-23(2)12-11-16-3-8-21-14-20(10-9-19(21)13-16)18-6-4-17(15-22)5-7-18/h3-10,13-14H,11-12H2,1-2H3
InChIKeyUKTQGMPJPKODML-UHFFFAOYSA-N
MW300.41 g/mol
LogP4.48
Rot. Bonds4

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

4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile (PubChem CID 10470098) has the molecular formula C21H20N2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile
PubChem CID10470098
Molecular FormulaC21H20N2
Molecular Weight300.41 g/mol
Exact Mass300.16
IUPAC Name4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile
SMILESCN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1
InChIInChI=1S/C21H20N2/c1-23(2)12-11-16-3-8-21-14-20(10-9-19(21)13-16)18-6-4-17(15-22)5-7-18/h3-10,13-14H,11-12H2,1-2H3
InChIKeyUKTQGMPJPKODML-UHFFFAOYSA-N
XLogP4.48
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile (CID 10470098) is 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile is CN(C)CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1.
What is the InChIKey of 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile?
The InChIKey is UKTQGMPJPKODML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2/c1-23(2)12-11-16-3-8-21-14-20(10-9-19(21)13-16)18-6-4-17(15-22)5-7-18/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile?
4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile has a molecular weight of 300.41 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(dimethylamino)ethyl]naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 10470098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).