2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide

C11H15FN2O2 — CID 107692552

IUPAC2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
SMILESCC(Oc1ccc(CCN)cc1F)C(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7(11(14)15)16-10-3-2-8(4-5-13)6-9(10)12/h2-3,6-7H,4-5,13H2,1H3,(H2,14,15)
InChIKeyBUZGVFUOFWSZQC-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.58
Rot. Bonds5

About 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide

2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide (PubChem CID 107692552) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
PubChem CID107692552
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
SMILESCC(Oc1ccc(CCN)cc1F)C(N)=O
InChIInChI=1S/C11H15FN2O2/c1-7(11(14)15)16-10-3-2-8(4-5-13)6-9(10)12/h2-3,6-7H,4-5,13H2,1H3,(H2,14,15)
InChIKeyBUZGVFUOFWSZQC-UHFFFAOYSA-N
XLogP0.58
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-[5-(2-aminoethyl)-2-methoxyphenoxy]propanamide
CID 54930549
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
(2S)-2-(4-bromo-2-fluorophenoxy)propanamide
CID 2522971
2-(2-fluoro-4-nitrophenoxy)propanamide
CID 61034848
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[4-(aminomethyl)-2,6-difluorophenoxy]propanamide
CID 79886751
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
N-[2-(3-fluoro-4-propan-2-yloxyphenyl)ethyl]acetamide
CID 110788935
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide (CID 107692552) is 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide is CC(Oc1ccc(CCN)cc1F)C(N)=O.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide?
The InChIKey is BUZGVFUOFWSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-7(11(14)15)16-10-3-2-8(4-5-13)6-9(10)12/h2-3,6-7H,4-5,13H2,1H3,(H2,14,15).
What are the key properties of 2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide?
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide has a molecular weight of 226.25 g/mol, XLogP of 0.58, 5 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]propanamide is sourced from PubChem (CID 107692552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).