2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide

C15H23FN2O2 — CID 107692686

IUPAC2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
SMILESCC(Oc1ccc(CCN)cc1F)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(14(19)18-15(2,3)4)20-13-6-5-11(7-8-17)9-12(13)16/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyGTGPPHFKWWWALY-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide (PubChem CID 107692686) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
PubChem CID107692686
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
SMILESCC(Oc1ccc(CCN)cc1F)C(=O)NC(C)(C)C
InChIInChI=1S/C15H23FN2O2/c1-10(14(19)18-15(2,3)4)20-13-6-5-11(7-8-17)9-12(13)16/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyGTGPPHFKWWWALY-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107692828
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 107665393
N-tert-butyl-2-(4-chloro-2-fluorophenoxy)propanamide
CID 113219152
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
CID 63320637
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 60905217
2-[4-(aminomethyl)-2-fluorophenoxy]-N-cyclopentylpropanamide
CID 107665579
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-propan-2-ylacetamide
CID 107692678
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide (CID 107692686) is 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide is CC(Oc1ccc(CCN)cc1F)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide?
The InChIKey is GTGPPHFKWWWALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(14(19)18-15(2,3)4)20-13-6-5-11(7-8-17)9-12(13)16/h5-6,9-10H,7-8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide?
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 2.01, 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]-N-tert-butylpropanamide is sourced from PubChem (CID 107692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).