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

C15H23FN2O2 — CID 107692828

IUPAC2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(CCN)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)9-18-15(19)11(3)20-14-5-4-12(6-7-17)8-13(14)16/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeySTPAYXZGBVNQAS-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.87
Rot. Bonds7

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

2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 107692828) 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-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
PubChem CID107692828
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(CCN)cc1F
InChIInChI=1S/C15H23FN2O2/c1-10(2)9-18-15(19)11(3)20-14-5-4-12(6-7-17)8-13(14)16/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19)
InChIKeySTPAYXZGBVNQAS-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-tert-butylpropanamide
CID 107692686
2-[4-(2-aminoethyl)-2-fluorophenoxy]propanamide
CID 107692552
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
2-[4-(2-aminoethyl)-2-(trifluoromethyl)phenoxy]-N-ethylpropanamide
CID 63320637
2-[2-(aminomethyl)-3-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 43609241
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-butylpropanamide
CID 63052000
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[4-(aminomethyl)-2-fluorophenoxy]propanamide
CID 107665477

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide (CID 107692828) is 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(CCN)cc1F.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is STPAYXZGBVNQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-10(2)9-18-15(19)11(3)20-14-5-4-12(6-7-17)8-13(14)16/h4-5,8,10-11H,6-7,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide?
2-[4-(2-aminoethyl)-2-fluorophenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 282.36 g/mol, XLogP of 1.87, 7 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-(2-methylpropyl)propanamide is sourced from PubChem (CID 107692828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).