N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide

C13H19FN2O2 — CID 112608901

IUPACN-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(F)cccc1CNC
InChIInChI=1S/C13H19FN2O2/c1-4-16(3)12(17)9-18-13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyDHBRLRCMMOVNTP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.40
Rot. Bonds6

About N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide

N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide (PubChem CID 112608901) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
PubChem CID112608901
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide
SMILESCCN(C)C(=O)COc1c(F)cccc1CNC
InChIInChI=1S/C13H19FN2O2/c1-4-16(3)12(17)9-18-13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3
InChIKeyDHBRLRCMMOVNTP-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]ethanamine
CID 112608835
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
CID 112609657
N-(2-cyanoethyl)-2-[2-fluoro-6-(methylaminomethyl)phenoxy]acetamide
CID 112608784
2-[2-fluoro-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952550
methyl 4-[2-fluoro-6-(methylaminomethyl)phenoxy]butanoate
CID 112608740
1-[2-fluoro-6-(methylaminomethyl)phenoxy]propan-2-ol
CID 112608730
N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 115953467
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060
1-[3-fluoro-2-(4-methoxybutoxy)phenyl]-N-methylmethanamine
CID 104647167
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide?
The IUPAC name of N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide (CID 112608901) is N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide?
The canonical SMILES for N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide is CCN(C)C(=O)COc1c(F)cccc1CNC.
What is the InChIKey of N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide?
The InChIKey is DHBRLRCMMOVNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-16(3)12(17)9-18-13-10(8-15-2)6-5-7-11(13)14/h5-7,15H,4,8-9H2,1-3H3.
What are the key properties of N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide?
N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-fluoro-6-(methylaminomethyl)phenoxy]-N-methylacetamide is sourced from PubChem (CID 112608901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).