methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate

C15H22FNO3 — CID 102983852

IUPACmethyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOc1cc(F)ccc1C)C(=O)OC
InChIInChI=1S/C15H22FNO3/c1-4-8-17-13(15(18)19-3)7-9-20-14-10-12(16)6-5-11(14)2/h5-6,10,13,17H,4,7-9H2,1-3H3
InChIKeyALYWUMUAUNCJJA-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.44
Rot. Bonds8

About methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate

methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate (PubChem CID 102983852) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
PubChem CID102983852
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Namemethyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
SMILESCCCNC(CCOc1cc(F)ccc1C)C(=O)OC
InChIInChI=1S/C15H22FNO3/c1-4-8-17-13(15(18)19-3)7-9-20-14-10-12(16)6-5-11(14)2/h5-6,10,13,17H,4,7-9H2,1-3H3
InChIKeyALYWUMUAUNCJJA-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2,5-dimethylphenoxy)-2-(propylamino)butanoate
CID 63040489
4-(5-fluoro-2-methylphenoxy)-2-(methylamino)butanamide
CID 102983847
ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
methyl 4-(2,5-difluorophenoxy)-2-(methylamino)butanoate
CID 63269811
methyl 4-(2,4-difluorophenoxy)-2-(methylamino)butanoate
CID 63039133
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457
4-(2,5-difluorophenoxy)-2-(ethylamino)butanamide
CID 63269722
methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
6-(5-fluoro-2-methylphenoxy)hexanehydrazide
CID 102987680
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 102983576
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate (CID 102983852) is methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate is CCCNC(CCOc1cc(F)ccc1C)C(=O)OC.
What is the InChIKey of methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate?
The InChIKey is ALYWUMUAUNCJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-4-8-17-13(15(18)19-3)7-9-20-14-10-12(16)6-5-11(14)2/h5-6,10,13,17H,4,7-9H2,1-3H3.
What are the key properties of methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate?
methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate has a molecular weight of 283.34 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate is sourced from PubChem (CID 102983852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).