2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide

C15H23FN2O2 — CID 63065663

IUPAC2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(F)ccc1C(C)N
InChIInChI=1S/C15H23FN2O2/c1-5-18(6-2)15(19)11(4)20-14-9-12(16)7-8-13(14)10(3)17/h7-11H,5-6,17H2,1-4H3
InChIKeyHLFSLSCXRQYVEJ-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.48
Rot. Bonds6

About 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide

2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide (PubChem CID 63065663) 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,N-diethylpropanamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
PubChem CID63065663
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Oc1cc(F)ccc1C(C)N
InChIInChI=1S/C15H23FN2O2/c1-5-18(6-2)15(19)11(4)20-14-9-12(16)7-8-13(14)10(3)17/h7-11H,5-6,17H2,1-4H3
InChIKeyHLFSLSCXRQYVEJ-UHFFFAOYSA-N
XLogP2.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]propanamide
CID 63067505
2-(2-bromo-5-fluorophenoxy)-N,N-diethylpropanamide
CID 81494846
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 63367985
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 63368172
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
2-(4-amino-2,5-difluorophenoxy)-N,N-diethylpropanamide
CID 63598648
2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
N,N-diethyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719457
2-[4-[(1S)-1-aminoethyl]phenoxy]-N,N-diethylpropanamide
CID 63367483

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide (CID 63065663) is 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Oc1cc(F)ccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide?
The InChIKey is HLFSLSCXRQYVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-18(6-2)15(19)11(4)20-14-9-12(16)7-8-13(14)10(3)17/h7-11H,5-6,17H2,1-4H3.
What are the key properties of 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide?
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide is sourced from PubChem (CID 63065663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).