2-amino-2-ethoxy-1-(2-methylphenyl)ethanone

C11H15NO2 — CID 57148659

IUPAC2-amino-2-ethoxy-1-(2-methylphenyl)ethanone
SMILESCCOC(N)C(=O)c1ccccc1C
InChIInChI=1S/C11H15NO2/c1-3-14-11(12)10(13)9-7-5-4-6-8(9)2/h4-7,11H,3,12H2,1-2H3
InChIKeyRRJYTFHDVCPEMA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.50
Rot. Bonds4

About 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone

2-amino-2-ethoxy-1-(2-methylphenyl)ethanone (PubChem CID 57148659) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-2-ethoxy-1-(2-methylphenyl)ethanone
PubChem CID57148659
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-amino-2-ethoxy-1-(2-methylphenyl)ethanone
SMILESCCOC(N)C(=O)c1ccccc1C
InChIInChI=1S/C11H15NO2/c1-3-14-11(12)10(13)9-7-5-4-6-8(9)2/h4-7,11H,3,12H2,1-2H3
InChIKeyRRJYTFHDVCPEMA-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone?
The IUPAC name of 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone (CID 57148659) is 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone?
The canonical SMILES for 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone is CCOC(N)C(=O)c1ccccc1C.
What is the InChIKey of 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone?
The InChIKey is RRJYTFHDVCPEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-11(12)10(13)9-7-5-4-6-8(9)2/h4-7,11H,3,12H2,1-2H3.
What are the key properties of 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone?
2-amino-2-ethoxy-1-(2-methylphenyl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethoxy-1-(2-methylphenyl)ethanone is sourced from PubChem (CID 57148659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).