methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate

C11H13F2NO2 — CID 106534445

IUPACmethyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14-10(6-11(15)16-2)7-3-8(12)5-9(13)4-7/h3-5,10,14H,6H2,1-2H3
InChIKeyUYYCBDITEWUYHN-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.79
Rot. Bonds4

About methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate

methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate (PubChem CID 106534445) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
PubChem CID106534445
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1cc(F)cc(F)c1
InChIInChI=1S/C11H13F2NO2/c1-14-10(6-11(15)16-2)7-3-8(12)5-9(13)4-7/h3-5,10,14H,6H2,1-2H3
InChIKeyUYYCBDITEWUYHN-UHFFFAOYSA-N
XLogP1.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417
methyl 3-amino-3-(3,5-difluorophenyl)propanoate;hydrochloride
CID 171158674
methyl 3-[3-(difluoromethyl)phenyl]-3-(methylamino)propanoate
CID 115529790
methyl 3-(3,5-difluorophenyl)-3-phenylpropanoate
CID 175534287
methyl 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351334
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
CID 65235054
3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(methylamino)propanamide
CID 115351328
methyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65235293
methyl 2-(3,5-difluorophenyl)-2-fluoroacetate
CID 22312713
methyl 3-(methylamino)-3-(3-propoxyphenyl)propanoate
CID 65235295
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686
methyl 4-(3-fluoro-5-methoxyphenyl)-3,4-dihydroxybutanoate
CID 171895472

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate (CID 106534445) is methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate is CNC(CC(=O)OC)c1cc(F)cc(F)c1.
What is the InChIKey of methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate?
The InChIKey is UYYCBDITEWUYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-14-10(6-11(15)16-2)7-3-8(12)5-9(13)4-7/h3-5,10,14H,6H2,1-2H3.
What are the key properties of methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate?
methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate has a molecular weight of 229.23 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate is sourced from PubChem (CID 106534445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).