methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate

C14H20FNO3 — CID 107170379

IUPACmethyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
SMILESCCCNC(COc1ccc(C)c(F)c1)C(=O)OC
InChIInChI=1S/C14H20FNO3/c1-4-7-16-13(14(17)18-3)9-19-11-6-5-10(2)12(15)8-11/h5-6,8,13,16H,4,7,9H2,1-3H3
InChIKeyXFQBWCRSPYHJQR-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.05
Rot. Bonds7

About methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate

methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate (PubChem CID 107170379) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
PubChem CID107170379
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
SMILESCCCNC(COc1ccc(C)c(F)c1)C(=O)OC
InChIInChI=1S/C14H20FNO3/c1-4-7-16-13(14(17)18-3)9-19-11-6-5-10(2)12(15)8-11/h5-6,8,13,16H,4,7,9H2,1-3H3
InChIKeyXFQBWCRSPYHJQR-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

methyl 2-(propylamino)-3-(2,3,5,6-tetrafluorophenoxy)propanoate
CID 103289999
2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107170360
ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
CID 107170380
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168983
methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
CID 102983852
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
ethyl 3-(3,4-dimethylphenoxy)-2-methylpropanoate
CID 115002230
methyl 2-(ethylamino)-3-(4-propylphenoxy)propanoate
CID 55084996
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
methyl 2-(propylamino)-4-(4-propylphenoxy)butanoate
CID 63034457

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate?
The IUPAC name of methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate (CID 107170379) is methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate is CCCNC(COc1ccc(C)c(F)c1)C(=O)OC.
What is the InChIKey of methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate?
The InChIKey is XFQBWCRSPYHJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-4-7-16-13(14(17)18-3)9-19-11-6-5-10(2)12(15)8-11/h5-6,8,13,16H,4,7,9H2,1-3H3.
What are the key properties of methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate?
methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate has a molecular weight of 269.32 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate is sourced from PubChem (CID 107170379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).