2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide

C15H23FN2O2 — CID 107716121

IUPAC2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-11(5-2)18-15(19)9-20-12-6-7-13(10(3)17)14(16)8-12/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyUDEKDWFAYXBIQB-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.53
Rot. Bonds7

About 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide (PubChem CID 107716121) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
PubChem CID107716121
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-11(5-2)18-15(19)9-20-12-6-7-13(10(3)17)14(16)8-12/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyUDEKDWFAYXBIQB-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107718715
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(2-cyanoethyl)acetamide
CID 107718150
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-pentan-3-ylacetamide
CID 63649947
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide (CID 107716121) is 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(C(C)N)c(F)c1.
What is the InChIKey of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
The InChIKey is UDEKDWFAYXBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-11(5-2)18-15(19)9-20-12-6-7-13(10(3)17)14(16)8-12/h6-8,10-11H,4-5,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide?
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide is sourced from PubChem (CID 107716121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).