2-(3-aminophenoxy)-N,N-dimethylacetamide

C10H14N2O2 — CID 10512012

IUPAC2-(3-aminophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(N)c1
InChIInChI=1S/C10H14N2O2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3
InChIKeyORVOZEIZAGYCHU-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.74
Rot. Bonds3

About 2-(3-aminophenoxy)-N,N-dimethylacetamide

2-(3-aminophenoxy)-N,N-dimethylacetamide (PubChem CID 10512012) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N,N-dimethylacetamide
PubChem CID10512012
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-aminophenoxy)-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cccc(N)c1
InChIInChI=1S/C10H14N2O2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3
InChIKeyORVOZEIZAGYCHU-UHFFFAOYSA-N
XLogP0.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-aminophenoxy)-N,N-dimethylacetamide (CID 10512012) is 2-(3-aminophenoxy)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N,N-dimethylacetamide is CN(C)C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N,N-dimethylacetamide?
The InChIKey is ORVOZEIZAGYCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(2)10(13)7-14-9-5-3-4-8(11)6-9/h3-6H,7,11H2,1-2H3.
What are the key properties of 2-(3-aminophenoxy)-N,N-dimethylacetamide?
2-(3-aminophenoxy)-N,N-dimethylacetamide has a molecular weight of 194.23 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N,N-dimethylacetamide is sourced from PubChem (CID 10512012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).