2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide

C13H19FN2O2 — CID 107692678

IUPAC2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(CCN)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-13(17)8-18-12-4-3-10(5-6-15)7-11(12)14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyJRYYBJDHRWDBFH-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds6

About 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide (PubChem CID 107692678) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
PubChem CID107692678
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(CCN)cc1F
InChIInChI=1S/C13H19FN2O2/c1-9(2)16-13(17)8-18-12-4-3-10(5-6-15)7-11(12)14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17)
InChIKeyJRYYBJDHRWDBFH-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-fluoro-4-(methylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107686749
2-[2-fluoro-4-(propylaminomethyl)phenoxy]-N-propan-2-ylacetamide
CID 107687356
2-(2-fluoro-4-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 167446728
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-(2-methylpropyl)acetamide
CID 107687871
2-[2-fluoro-4-[(propan-2-ylamino)methyl]phenoxy]-N-propylacetamide
CID 107687590
2-[3-fluoro-4-(2-methylprop-2-enoxy)phenyl]ethanamine
CID 107692680
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-[4-amino-2-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide
CID 61389475
2-[4-(2-aminopropyl)-2-fluorophenoxy]acetamide
CID 107693025
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide (CID 107692678) is 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(CCN)cc1F.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide?
The InChIKey is JRYYBJDHRWDBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16-13(17)8-18-12-4-3-10(5-6-15)7-11(12)14/h3-4,7,9H,5-6,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide?
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide has a molecular weight of 254.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 107692678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).