1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol

C16H21NO2 — CID 82983291

IUPAC1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
SMILESCCOCCN(C)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-3-19-11-10-17(2)12-15-14-7-5-4-6-13(14)8-9-16(15)18/h4-9,18H,3,10-12H2,1-2H3
InChIKeyXAYJSDVNJMKWTB-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.01
Rot. Bonds6

About 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol

1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol (PubChem CID 82983291) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
PubChem CID82983291
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
SMILESCCOCCN(C)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C16H21NO2/c1-3-19-11-10-17(2)12-15-14-7-5-4-6-13(14)8-9-16(15)18/h4-9,18H,3,10-12H2,1-2H3
InChIKeyXAYJSDVNJMKWTB-UHFFFAOYSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol (CID 82983291) is 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol is CCOCCN(C)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol?
The InChIKey is XAYJSDVNJMKWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-19-11-10-17(2)12-15-14-7-5-4-6-13(14)8-9-16(15)18/h4-9,18H,3,10-12H2,1-2H3.
What are the key properties of 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol?
1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol has a molecular weight of 259.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 82983291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).