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

C19H17NO2 — CID 46307752

IUPAC2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C19H17NO2/c1-13-6-11-18(17-5-3-2-4-16(13)17)19(21)12-22-15-9-7-14(20)8-10-15/h2-11H,12,20H2,1H3
InChIKeyVRKWYTZEEQFKBT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.99
Rot. Bonds4

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

2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone (PubChem CID 46307752) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone
PubChem CID46307752
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone
SMILESCc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C19H17NO2/c1-13-6-11-18(17-5-3-2-4-16(13)17)19(21)12-22-15-9-7-14(20)8-10-15/h2-11H,12,20H2,1H3
InChIKeyVRKWYTZEEQFKBT-UHFFFAOYSA-N
XLogP3.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenoxy)-1-(4-methoxynaphthalen-1-yl)ethanone
CID 46307754
2-(4-aminophenoxy)-1-(4-methylphenyl)ethanone
CID 39109578
methyl 4-(4-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82646447
1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
1-(2,4-dimethylphenyl)-2-(4-phenoxyphenoxy)ethanone
CID 2462834
2-(4-aminophenoxy)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 61028416
1-(4-methylnaphthalen-1-yl)-2-propylsulfanylethanone
CID 82050973
2-(3,4-dimethylphenoxy)-1-(1-ethylindol-3-yl)ethanone
CID 21380761
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
1-(1-ethylindol-3-yl)-2-(4-methylphenoxy)ethanone
CID 21380759
1-(3-bromo-2,4-dimethoxyphenyl)-2-phenoxyethanone
CID 103523048
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone (CID 46307752) is 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone is Cc1ccc(C(=O)COc2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone?
The InChIKey is VRKWYTZEEQFKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2/c1-13-6-11-18(17-5-3-2-4-16(13)17)19(21)12-22-15-9-7-14(20)8-10-15/h2-11H,12,20H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone?
2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone has a molecular weight of 291.35 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-(4-methylnaphthalen-1-yl)ethanone is sourced from PubChem (CID 46307752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).