2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide

C14H21FN2O2 — CID 112615920

IUPAC2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(F)cccc1CC(C)N
InChIInChI=1S/C14H21FN2O2/c1-4-17-14(18)10(3)19-13-11(8-9(2)16)6-5-7-12(13)15/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyMPLBBKZIHXVXQU-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide

2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide (PubChem CID 112615920) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
PubChem CID112615920
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
SMILESCCNC(=O)C(C)Oc1c(F)cccc1CC(C)N
InChIInChI=1S/C14H21FN2O2/c1-4-17-14(18)10(3)19-13-11(8-9(2)16)6-5-7-12(13)15/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyMPLBBKZIHXVXQU-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54930401
2-[2-(2-aminobutyl)-6-fluorophenoxy]propanoic acid
CID 112616003
2-[3-(2-aminopropyl)phenoxy]-N-ethylpropanamide
CID 54928983
1-(3-fluoro-2-pentan-2-yloxyphenyl)propan-2-amine
CID 114012797
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
2-[2-(aminomethyl)-6-fluorophenoxy]-N-methylpropanamide
CID 112608112
2-[2-fluoro-6-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 115956348
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-methyl-N-propan-2-ylacetamide
CID 115958626

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide (CID 112615920) is 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide is CCNC(=O)C(C)Oc1c(F)cccc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide?
The InChIKey is MPLBBKZIHXVXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-17-14(18)10(3)19-13-11(8-9(2)16)6-5-7-12(13)15/h5-7,9-10H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide?
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide has a molecular weight of 268.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide is sourced from PubChem (CID 112615920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).