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

C23H27NO2 — CID 54771775

IUPAC1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCCN(CC)CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C23H27NO2/c1-3-24(4-2)15-16-26-20-12-9-18(10-13-20)17-22-21-8-6-5-7-19(21)11-14-23(22)25/h5-14,25H,3-4,15-17H2,1-2H3
InChIKeyPWSMTYFDJKAEBS-UHFFFAOYSA-N
MW349.47 g/mol
LogP4.86
Rot. Bonds8

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

1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 54771775) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID54771775
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESCCN(CC)CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C23H27NO2/c1-3-24(4-2)15-16-26-20-12-9-18(10-13-20)17-22-21-8-6-5-7-19(21)11-14-23(22)25/h5-14,25H,3-4,15-17H2,1-2H3
InChIKeyPWSMTYFDJKAEBS-UHFFFAOYSA-N
XLogP4.86
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol (CID 54771775) is 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol is CCN(CC)CCOc1ccc(Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is PWSMTYFDJKAEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2/c1-3-24(4-2)15-16-26-20-12-9-18(10-13-20)17-22-21-8-6-5-7-19(21)11-14-23(22)25/h5-14,25H,3-4,15-17H2,1-2H3.
What are the key properties of 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol?
1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 349.47 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 54771775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).