2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide

C15H23FN2O2 — CID 115957884

IUPAC2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1c(F)cccc1CCN
InChIInChI=1S/C15H23FN2O2/c1-11(2)7-9-18-14(19)10-20-15-12(6-8-17)4-3-5-13(15)16/h3-5,11H,6-10,17H2,1-2H3,(H,18,19)
InChIKeyFCAVLFCQWWGHMR-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.87
Rot. Bonds8

About 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide (PubChem CID 115957884) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
PubChem CID115957884
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)COc1c(F)cccc1CCN
InChIInChI=1S/C15H23FN2O2/c1-11(2)7-9-18-14(19)10-20-15-12(6-8-17)4-3-5-13(15)16/h3-5,11H,6-10,17H2,1-2H3,(H,18,19)
InChIKeyFCAVLFCQWWGHMR-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 61486884
propan-2-yl 2-[2-(2-aminoethyl)-6-fluorophenoxy]acetate
CID 112615221
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 112608108
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
2-[2-fluoro-6-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 115955069
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
2-[2-(aminomethyl)-6-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 112607908
N'-[(2-fluorophenyl)methyl]-N-(3-methylbutyl)propanediamide
CID 108946249
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 61487161
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide (CID 115957884) is 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)COc1c(F)cccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide?
The InChIKey is FCAVLFCQWWGHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-11(2)7-9-18-14(19)10-20-15-12(6-8-17)4-3-5-13(15)16/h3-5,11H,6-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide?
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide has a molecular weight of 282.36 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 115957884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).