2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide

C14H21FN2O2 — CID 107701346

IUPAC2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cc(F)ccc1OC(C)C(=O)NC
InChIInChI=1S/C14H21FN2O2/c1-4-12(16)8-10-7-11(15)5-6-13(10)19-9(2)14(18)17-3/h5-7,9,12H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyUKTNYZFMRWOFLW-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide

2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide (PubChem CID 107701346) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
PubChem CID107701346
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
SMILESCCC(N)Cc1cc(F)ccc1OC(C)C(=O)NC
InChIInChI=1S/C14H21FN2O2/c1-4-12(16)8-10-7-11(15)5-6-13(10)19-9(2)14(18)17-3/h5-7,9,12H,4,8,16H2,1-3H3,(H,17,18)
InChIKeyUKTNYZFMRWOFLW-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

methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
CID 107701262
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
2-[2-(2-aminopropyl)-4-bromophenoxy]-N-methylpropanamide
CID 54929525
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-[2-(2-aminobutyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 60907094
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
2-[2-(2-aminobutyl)-4-methylphenoxy]-N-prop-2-ynylpropanamide
CID 63326039
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
2-[2-(2-aminobutyl)phenoxy]-N-cyclopropylpropanamide
CID 60907329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide (CID 107701346) is 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide is CCC(N)Cc1cc(F)ccc1OC(C)C(=O)NC.
What is the InChIKey of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide?
The InChIKey is UKTNYZFMRWOFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-12(16)8-10-7-11(15)5-6-13(10)19-9(2)14(18)17-3/h5-7,9,12H,4,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide?
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide 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-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 107701346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).