2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone

C19H17NO3 — CID 46307754

IUPAC2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C19H17NO3/c1-22-19-11-10-16(15-4-2-3-5-17(15)19)18(21)12-23-14-8-6-13(20)7-9-14/h2-11H,12,20H2,1H3
InChIKeyJKNJQTKZCLYMLA-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.69
Rot. Bonds5

About 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone

2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone (PubChem CID 46307754) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
PubChem CID46307754
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C19H17NO3/c1-22-19-11-10-16(15-4-2-3-5-17(15)19)18(21)12-23-14-8-6-13(20)7-9-14/h2-11H,12,20H2,1H3
InChIKeyJKNJQTKZCLYMLA-UHFFFAOYSA-N
XLogP3.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone
CID 46307752
2-[2-(4-methoxynaphthalen-1-yl)-2-oxoethoxy]acetic acid
CID 61328364
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048
4-(4-methoxynaphthalen-1-yl)-4-oxobutanamide
CID 91102040
[2-(2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596344
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
[4-(4-methoxynaphthalen-1-yl)-4-oxobutan-2-yl]-methylsulfanium
CID 149125335
2-(4-bromophenoxy)-1-(2-methoxyphenyl)ethanone
CID 60625457
[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597308
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
2-[4-(2-hydroxyethyl)phenoxy]-1-(2-methoxyphenyl)ethanone
CID 107709230
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596368

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone (CID 46307754) is 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone is COc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone?
The InChIKey is JKNJQTKZCLYMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-22-19-11-10-16(15-4-2-3-5-17(15)19)18(21)12-23-14-8-6-13(20)7-9-14/h2-11H,12,20H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone?
2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone has a molecular weight of 307.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 46307754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).