1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol

C21H23NO2 — CID 54771334

IUPAC1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCN(C)CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H23NO2/c1-22(2)13-14-24-18-10-7-16(8-11-18)15-20-19-6-4-3-5-17(19)9-12-21(20)23/h3-12,23H,13-15H2,1-2H3
InChIKeyFFSHDKHYNHBQLS-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.08
Rot. Bonds6

About 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol

1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 54771334) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID54771334
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCN(C)CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H23NO2/c1-22(2)13-14-24-18-10-7-16(8-11-18)15-20-19-6-4-3-5-17(19)9-12-21(20)23/h3-12,23H,13-15H2,1-2H3
InChIKeyFFSHDKHYNHBQLS-UHFFFAOYSA-N
XLogP4.08
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol (CID 54771334) is 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol is CN(C)CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is FFSHDKHYNHBQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(2)13-14-24-18-10-7-16(8-11-18)15-20-19-6-4-3-5-17(19)9-12-21(20)23/h3-12,23H,13-15H2,1-2H3.
What are the key properties of 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 321.42 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 54771334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).