2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide

C12H17FN2O2 — CID 112609657

IUPAC2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
SMILESCCNCc1cccc(F)c1OCC(=O)NC
InChIInChI=1S/C12H17FN2O2/c1-3-15-7-9-5-4-6-10(13)12(9)17-8-11(16)14-2/h4-6,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyHBQMJBVTVJCVPH-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.06
Rot. Bonds6

About 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide

2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide (PubChem CID 112609657) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
PubChem CID112609657
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide
SMILESCCNCc1cccc(F)c1OCC(=O)NC
InChIInChI=1S/C12H17FN2O2/c1-3-15-7-9-5-4-6-10(13)12(9)17-8-11(16)14-2/h4-6,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyHBQMJBVTVJCVPH-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-6-[(2-methoxyethylamino)methyl]phenoxy]-N-methylacetamide
CID 112610886
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 112613129
methyl 2-[2-(ethylaminomethyl)-6-fluorophenoxy]acetate
CID 112609552
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 115953315
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-1-piperidin-1-ylethanone
CID 115953353
N-carbamoyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953491
N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
2-[4-(ethylaminomethyl)-2,6-difluorophenoxy]-N-methylacetamide
CID 79891352
N-(cyanomethyl)-2-[2-fluoro-6-(propylaminomethyl)phenoxy]acetamide
CID 115953401
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
3-[2-fluoro-6-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 115955331
N-[[3-fluoro-2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 112609648

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide?
The IUPAC name of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide (CID 112609657) is 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide?
The canonical SMILES for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide is CCNCc1cccc(F)c1OCC(=O)NC.
What is the InChIKey of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide?
The InChIKey is HBQMJBVTVJCVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-15-7-9-5-4-6-10(13)12(9)17-8-11(16)14-2/h4-6,15H,3,7-8H2,1-2H3,(H,14,16).
What are the key properties of 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide?
2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide has a molecular weight of 240.28 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylaminomethyl)-6-fluorophenoxy]-N-methylacetamide is sourced from PubChem (CID 112609657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).