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

C15H22FNO3 — CID 107660489

IUPACmethyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(COc1cccc(C)c1F)C(=O)OC
InChIInChI=1S/C15H22FNO3/c1-5-9-17-15(3,14(18)19-4)10-20-12-8-6-7-11(2)13(12)16/h6-8,17H,5,9-10H2,1-4H3
InChIKeyWNQCIUGFPFBXNH-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.44
Rot. Bonds7

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

methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate (PubChem CID 107660489) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate
PubChem CID107660489
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Namemethyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate
SMILESCCCNC(C)(COc1cccc(C)c1F)C(=O)OC
InChIInChI=1S/C15H22FNO3/c1-5-9-17-15(3,14(18)19-4)10-20-12-8-6-7-11(2)13(12)16/h6-8,17H,5,9-10H2,1-4H3
InChIKeyWNQCIUGFPFBXNH-UHFFFAOYSA-N
XLogP2.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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

2-amino-3-(2-fluoro-3-methylphenoxy)-2-methylpropanoic acid
CID 107660407
3-(2,6-difluorophenoxy)-2-methyl-2-(propylamino)propanoic acid
CID 81269915
ethyl 4-(2-fluoro-3-methylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 107659444
methyl 4-(2,5-difluorophenoxy)-2-methyl-2-(propylamino)butanoate
CID 63269935
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
methyl 4-(2-fluoro-3-methylphenoxy)butanoate
CID 103988294
propan-2-yl 2-(2-fluoro-3-methylphenoxy)acetate
CID 103988371
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
5-(5-fluoro-2-methylphenoxy)-2-methyl-2-(propylamino)pentanamide
CID 102983576
6-(2-fluoro-3-methylphenoxy)-2-methyl-2-(methylamino)hexanamide
CID 107660513
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate?
The IUPAC name of methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate (CID 107660489) is methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate.
What is the SMILES notation for methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate?
The canonical SMILES for methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate is CCCNC(C)(COc1cccc(C)c1F)C(=O)OC.
What is the InChIKey of methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate?
The InChIKey is WNQCIUGFPFBXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO3/c1-5-9-17-15(3,14(18)19-4)10-20-12-8-6-7-11(2)13(12)16/h6-8,17H,5,9-10H2,1-4H3.
What are the key properties of methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate?
methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate has a molecular weight of 283.34 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate is sourced from PubChem (CID 107660489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).