methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate

C14H20FNO3 — CID 107701262

IUPACmethyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
SMILESCCC(N)Cc1cc(F)ccc1OC(C)C(=O)OC
InChIInChI=1S/C14H20FNO3/c1-4-12(16)8-10-7-11(15)5-6-13(10)19-9(2)14(17)18-3/h5-7,9,12H,4,8,16H2,1-3H3
InChIKeyDJTRJOPQPDTXNA-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.05
Rot. Bonds6

About methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate

methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate (PubChem CID 107701262) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
PubChem CID107701262
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate
SMILESCCC(N)Cc1cc(F)ccc1OC(C)C(=O)OC
InChIInChI=1S/C14H20FNO3/c1-4-12(16)8-10-7-11(15)5-6-13(10)19-9(2)14(17)18-3/h5-7,9,12H,4,8,16H2,1-3H3
InChIKeyDJTRJOPQPDTXNA-UHFFFAOYSA-N
XLogP2.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylpropanamide
CID 107701322
2-[2-(2-aminobutyl)-4-fluorophenoxy]propanenitrile
CID 107701489
ethyl 2-[2-(2-aminobutyl)-4-methylphenoxy]propanoate
CID 63326295
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
2-[2-(2-aminobutyl)-4-methoxyphenoxy]-N-ethylpropanamide
CID 60907071
methyl (2S)-2-(5-fluoro-2-methylphenoxy)propanoate
CID 103338283
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-cyclopropylacetamide
CID 107701396
methyl (2R)-2-(2-ethylphenoxy)propanoate
CID 103337851
methyl 2-(2-ethylphenoxy)propanoate
CID 60643103
1-(5-fluoro-2-propoxyphenyl)butan-2-amine;hydrochloride
CID 170890525

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate?
The IUPAC name of methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate (CID 107701262) is methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate.
What is the SMILES notation for methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate?
The canonical SMILES for methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate is CCC(N)Cc1cc(F)ccc1OC(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate?
The InChIKey is DJTRJOPQPDTXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-4-12(16)8-10-7-11(15)5-6-13(10)19-9(2)14(17)18-3/h5-7,9,12H,4,8,16H2,1-3H3.
What are the key properties of methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate?
methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate has a molecular weight of 269.32 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-aminobutyl)-4-fluorophenoxy]propanoate is sourced from PubChem (CID 107701262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).