2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide

C15H23FN2O2 — CID 63066536

IUPAC2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(F)ccc1C(C)N
InChIInChI=1S/C15H23FN2O2/c1-5-15(3,4)18-14(19)9-20-13-8-11(16)6-7-12(13)10(2)17/h6-8,10H,5,9,17H2,1-4H3,(H,18,19)
InChIKeyVLTVVCAAHUGBSJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide

2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 63066536) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
PubChem CID63066536
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)COc1cc(F)ccc1C(C)N
InChIInChI=1S/C15H23FN2O2/c1-5-15(3,4)18-14(19)9-20-13-8-11(16)6-7-12(13)10(2)17/h6-8,10H,5,9,17H2,1-4H3,(H,18,19)
InChIKeyVLTVVCAAHUGBSJ-UHFFFAOYSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-(2-methylbutan-2-yl)acetamide
CID 63366201
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-methylacetamide
CID 78936103
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)acetamide
CID 63368195
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 78935841
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-2-ylacetamide
CID 78935876
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63064235
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(cyanomethyl)acetamide
CID 78935744
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
3-[2-(1-aminoethyl)-5-fluorophenoxy]-2,2-dimethylpropanoic acid
CID 79629205
1-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-2-methylpropan-2-ol
CID 78935976

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide (CID 63066536) is 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)COc1cc(F)ccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is VLTVVCAAHUGBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-15(3,4)18-14(19)9-20-13-8-11(16)6-7-12(13)10(2)17/h6-8,10H,5,9,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide?
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 282.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 63066536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).