2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide

C14H21FN2O3 — CID 115957905

IUPAC2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(F)cccc1CCN
InChIInChI=1S/C14H21FN2O3/c1-10(8-19-2)17-13(18)9-20-14-11(6-7-16)4-3-5-12(14)15/h3-5,10H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyOQWSEDHHFBDNMV-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.86
Rot. Bonds8

About 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 115957905) has the molecular formula C14H21FN2O3 and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID115957905
Molecular FormulaC14H21FN2O3
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(F)cccc1CCN
InChIInChI=1S/C14H21FN2O3/c1-10(8-19-2)17-13(18)9-20-14-11(6-7-16)4-3-5-12(14)15/h3-5,10H,6-9,16H2,1-2H3,(H,17,18)
InChIKeyOQWSEDHHFBDNMV-UHFFFAOYSA-N
XLogP0.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-pentan-2-ylacetamide
CID 115957606
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
CID 112615221
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
3-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)propanamide
CID 51072977
2-[2-(2-aminopropyl)-6-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488323
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
2-[2-(2-aminoethyl)-6-methylphenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 115957680
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
2-[2-(2-aminoethyl)-6-bromophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide (CID 115957905) is 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1c(F)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is OQWSEDHHFBDNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3/c1-10(8-19-2)17-13(18)9-20-14-11(6-7-16)4-3-5-12(14)15/h3-5,10H,6-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide?
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 284.33 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 115957905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).