2-(ethylamino)-2-methoxy-1-phenylethanone

C11H15NO2 — CID 70057717

IUPAC2-(ethylamino)-2-methoxy-1-phenylethanone
SMILESCCNC(OC)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-12-11(14-2)10(13)9-7-5-4-6-8-9/h4-8,11-12H,3H2,1-2H3
InChIKeyRELYCKIDOSAQDP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds5

About 2-(ethylamino)-2-methoxy-1-phenylethanone

2-(ethylamino)-2-methoxy-1-phenylethanone (PubChem CID 70057717) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(ethylamino)-2-methoxy-1-phenylethanone.

Molecular Properties

Compound Name2-(ethylamino)-2-methoxy-1-phenylethanone
PubChem CID70057717
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-(ethylamino)-2-methoxy-1-phenylethanone
SMILESCCNC(OC)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-12-11(14-2)10(13)9-7-5-4-6-8-9/h4-8,11-12H,3H2,1-2H3
InChIKeyRELYCKIDOSAQDP-UHFFFAOYSA-N
XLogP1.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
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-(ethylamino)-2-methoxy-1-phenylethanone?
The IUPAC name of 2-(ethylamino)-2-methoxy-1-phenylethanone (CID 70057717) is 2-(ethylamino)-2-methoxy-1-phenylethanone.
What is the SMILES notation for 2-(ethylamino)-2-methoxy-1-phenylethanone?
The canonical SMILES for 2-(ethylamino)-2-methoxy-1-phenylethanone is CCNC(OC)C(=O)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-2-methoxy-1-phenylethanone?
The InChIKey is RELYCKIDOSAQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-12-11(14-2)10(13)9-7-5-4-6-8-9/h4-8,11-12H,3H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methoxy-1-phenylethanone?
2-(ethylamino)-2-methoxy-1-phenylethanone has a molecular weight of 193.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methoxy-1-phenylethanone is sourced from PubChem (CID 70057717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).