1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol

C21H23NO3 — CID 9166236

IUPAC1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol
SMILESCOc1ccc(OCCN(C)Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H23NO3/c1-22(13-14-25-18-10-8-17(24-2)9-11-18)15-20-19-6-4-3-5-16(19)7-12-21(20)23/h3-12,23H,13-15H2,1-2H3
InChIKeyHXXFCMMQHBYOJN-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.06
Rot. Bonds7

About 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol

1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol (PubChem CID 9166236) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol
PubChem CID9166236
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol
SMILESCOc1ccc(OCCN(C)Cc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C21H23NO3/c1-22(13-14-25-18-10-8-17(24-2)9-11-18)15-20-19-6-4-3-5-16(19)7-12-21(20)23/h3-12,23H,13-15H2,1-2H3
InChIKeyHXXFCMMQHBYOJN-UHFFFAOYSA-N
XLogP4.06
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol (CID 9166236) is 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol is COc1ccc(OCCN(C)Cc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol?
The InChIKey is HXXFCMMQHBYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-22(13-14-25-18-10-8-17(24-2)9-11-18)15-20-19-6-4-3-5-16(19)7-12-21(20)23/h3-12,23H,13-15H2,1-2H3.
What are the key properties of 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol?
1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol has a molecular weight of 337.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 9166236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).