2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile

C21H20N2O2 — CID 146519637

IUPAC2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile
SMILESCN(C)c1ccc2cc(-c3cccc(OCCO)c3C#N)ccc2c1
InChIInChI=1S/C21H20N2O2/c1-23(2)18-9-8-15-12-17(7-6-16(15)13-18)19-4-3-5-21(20(19)14-22)25-11-10-24/h3-9,12-13,24H,10-11H2,1-2H3
InChIKeyPTCJHIIYDNDPQP-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.82
Rot. Bonds5

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

2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile (PubChem CID 146519637) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile.

Molecular Properties

Compound Name2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile
PubChem CID146519637
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile
SMILESCN(C)c1ccc2cc(-c3cccc(OCCO)c3C#N)ccc2c1
InChIInChI=1S/C21H20N2O2/c1-23(2)18-9-8-15-12-17(7-6-16(15)13-18)19-4-3-5-21(20(19)14-22)25-11-10-24/h3-9,12-13,24H,10-11H2,1-2H3
InChIKeyPTCJHIIYDNDPQP-UHFFFAOYSA-N
XLogP3.82
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile?
The IUPAC name of 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile (CID 146519637) is 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile.
What is the SMILES notation for 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile?
The canonical SMILES for 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile is CN(C)c1ccc2cc(-c3cccc(OCCO)c3C#N)ccc2c1.
What is the InChIKey of 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile?
The InChIKey is PTCJHIIYDNDPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-23(2)18-9-8-15-12-17(7-6-16(15)13-18)19-4-3-5-21(20(19)14-22)25-11-10-24/h3-9,12-13,24H,10-11H2,1-2H3.
What are the key properties of 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile?
2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile has a molecular weight of 332.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)naphthalen-2-yl]-6-(2-hydroxyethoxy)benzonitrile is sourced from PubChem (CID 146519637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).