2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide

C13H20N2O2 — CID 16772841

IUPAC2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(N)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)9-17-11-6-7-12(14)10(3)8-11/h6-8H,4-5,9,14H2,1-3H3
InChIKeyJVMRWPWXJVCXBX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.82
Rot. Bonds5

About 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide

2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide (PubChem CID 16772841) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
PubChem CID16772841
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(N)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)9-17-11-6-7-12(14)10(3)8-11/h6-8H,4-5,9,14H2,1-3H3
InChIKeyJVMRWPWXJVCXBX-UHFFFAOYSA-N
XLogP1.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.82
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

ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
N,N-diethyl-2-(4-sulfanylphenoxy)acetamide
CID 23092623
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
N,N-diethyl-2-[4-(ethylaminomethyl)phenoxy]acetamide
CID 43276989
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
2-[[2-(3,4-dimethylphenoxy)acetyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 9094951
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
ethyl 2-[[2-(3,4-dichlorophenoxy)acetyl]-ethylamino]acetate
CID 61022121
4-(methoxymethoxy)-2-methylaniline
CID 14883323

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide (CID 16772841) is 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(N)c(C)c1.
What is the InChIKey of 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide?
The InChIKey is JVMRWPWXJVCXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-15(5-2)13(16)9-17-11-6-7-12(14)10(3)8-11/h6-8H,4-5,9,14H2,1-3H3.
What are the key properties of 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide?
2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 16772841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).