1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine

C17H24N2O — CID 43475222

IUPAC1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc2ccccc2c1OCCN(C)C
InChIInChI=1S/C17H24N2O/c1-13(18-2)15-10-9-14-7-5-6-8-16(14)17(15)20-12-11-19(3)4/h5-10,13,18H,11-12H2,1-4H3
InChIKeyJULKZYXANRDNIH-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.06
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine

1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine (PubChem CID 43475222) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
PubChem CID43475222
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine
SMILESCNC(C)c1ccc2ccccc2c1OCCN(C)C
InChIInChI=1S/C17H24N2O/c1-13(18-2)15-10-9-14-7-5-6-8-16(14)17(15)20-12-11-19(3)4/h5-10,13,18H,11-12H2,1-4H3
InChIKeyJULKZYXANRDNIH-UHFFFAOYSA-N
XLogP3.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine (CID 43475222) is 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine is CNC(C)c1ccc2ccccc2c1OCCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine?
The InChIKey is JULKZYXANRDNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(18-2)15-10-9-14-7-5-6-8-16(14)17(15)20-12-11-19(3)4/h5-10,13,18H,11-12H2,1-4H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine?
1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethoxy]naphthalen-2-yl]-N-methylethanamine is sourced from PubChem (CID 43475222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).