2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone

C17H19NO2 — CID 82092903

IUPAC2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccccc2N)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-8-12(2)17(13(3)9-11)15(19)10-20-16-7-5-4-6-14(16)18/h4-9H,10,18H2,1-3H3
InChIKeySBMPAUYULBGVAH-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.46
Rot. Bonds4

About 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone

2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone (PubChem CID 82092903) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
PubChem CID82092903
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccccc2N)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-8-12(2)17(13(3)9-11)15(19)10-20-16-7-5-4-6-14(16)18/h4-9H,10,18H2,1-3H3
InChIKeySBMPAUYULBGVAH-UHFFFAOYSA-N
XLogP3.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminophenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 46307357
2-(2,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43411877
2-(3,4-dimethylphenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43412302
2-(2-aminophenoxy)-N-(3-bromo-5-methylphenyl)acetamide
CID 107581639
2-(2-aminophenoxy)-1-(3-methoxyphenyl)ethanone
CID 39109652
2-methoxy-1-(2,4,6-trimethylphenyl)ethanone
CID 15502799
2-phenylphosphanyloxy-1-(2,4,6-trimethylphenyl)ethanone
CID 118112452
2-(3-fluorophenoxy)-1-(2,4,6-trimethylphenyl)ethanone
CID 43413394
2-(2-aminophenoxy)-N-methyl-N-(3-methylphenyl)acetamide
CID 62003692
2-(2-aminophenoxy)-N-ethylacetamide
CID 16776803
methyl 3-(2-aminophenoxy)-2,2-dimethylpropanoate
CID 79622163
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] naphthalene-1-carboxylate
CID 2450228

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone (CID 82092903) is 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)COc2ccccc2N)c(C)c1.
What is the InChIKey of 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is SBMPAUYULBGVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-8-12(2)17(13(3)9-11)15(19)10-20-16-7-5-4-6-14(16)18/h4-9H,10,18H2,1-3H3.
What are the key properties of 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone?
2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-1-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 82092903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).