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

C15H23FN2O2 — CID 107715865

IUPAC2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-5-8-18-15(19)11(3)20-12-6-7-13(10(2)17)14(16)9-12/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyUGODPQHWJHEHPE-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.53
Rot. Bonds7

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

2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide (PubChem CID 107715865) 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-butylpropanamide.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
PubChem CID107715865
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
SMILESCCCCNC(=O)C(C)Oc1ccc(C(C)N)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-4-5-8-18-15(19)11(3)20-12-6-7-13(10(2)17)14(16)9-12/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyUGODPQHWJHEHPE-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
N-butyl-2-(3-fluoro-4-methylphenoxy)propanamide
CID 107171439
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
CID 107718925
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
N-butyl-2-(4-cyano-3-fluorophenoxy)propanamide
CID 79822692
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide?
The IUPAC name of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide (CID 107715865) is 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide.
What is the SMILES notation for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide?
The canonical SMILES for 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide is CCCCNC(=O)C(C)Oc1ccc(C(C)N)c(F)c1.
What is the InChIKey of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide?
The InChIKey is UGODPQHWJHEHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-4-5-8-18-15(19)11(3)20-12-6-7-13(10(2)17)14(16)9-12/h6-7,9-11H,4-5,8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide?
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide 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-butylpropanamide is sourced from PubChem (CID 107715865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).