2-(methoxymethylamino)-1-phenylethanone

C10H13NO2 — CID 58443183

IUPAC2-(methoxymethylamino)-1-phenylethanone
SMILESCOCNCC(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-8-11-7-10(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyULRQEUFQEWKVBZ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.06
Rot. Bonds5

About 2-(methoxymethylamino)-1-phenylethanone

2-(methoxymethylamino)-1-phenylethanone (PubChem CID 58443183) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(methoxymethylamino)-1-phenylethanone.

Molecular Properties

Compound Name2-(methoxymethylamino)-1-phenylethanone
PubChem CID58443183
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(methoxymethylamino)-1-phenylethanone
SMILESCOCNCC(=O)c1ccccc1
InChIInChI=1S/C10H13NO2/c1-13-8-11-7-10(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyULRQEUFQEWKVBZ-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(methoxymethylamino)-1-phenylethanone?
The IUPAC name of 2-(methoxymethylamino)-1-phenylethanone (CID 58443183) is 2-(methoxymethylamino)-1-phenylethanone.
What is the SMILES notation for 2-(methoxymethylamino)-1-phenylethanone?
The canonical SMILES for 2-(methoxymethylamino)-1-phenylethanone is COCNCC(=O)c1ccccc1.
What is the InChIKey of 2-(methoxymethylamino)-1-phenylethanone?
The InChIKey is ULRQEUFQEWKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-13-8-11-7-10(12)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 2-(methoxymethylamino)-1-phenylethanone?
2-(methoxymethylamino)-1-phenylethanone has a molecular weight of 179.22 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylamino)-1-phenylethanone is sourced from PubChem (CID 58443183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).