methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate

C11H13F2NO2 — CID 60787394

IUPACmethyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate
SMILESCNC(C)(C(=O)OC)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-11(14-2,10(15)16-3)8-5-4-7(12)6-9(8)13/h4-6,14H,1-3H3
InChIKeyQMUDIALXHDZAMD-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate

methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate (PubChem CID 60787394) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate
PubChem CID60787394
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate
SMILESCNC(C)(C(=O)OC)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-11(14-2,10(15)16-3)8-5-4-7(12)6-9(8)13/h4-6,14H,1-3H3
InChIKeyQMUDIALXHDZAMD-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate
CID 91501243
methyl (2R)-2-acetamido-2-(2,5-difluorophenyl)propanoate
CID 52873787
2-(2,4-difluorophenyl)-2-methoxypropanamide
CID 90905541
2-(2,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 123148400
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553
2-(cyclopropylamino)-2-(2,4-difluorophenyl)propanamide
CID 60795802
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
[2-(2,4-difluorophenyl)-2-hydroxy-1-(2-methylpropanoyloxy)propyl] 2-methylpropanoate
CID 70194630

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate?
The IUPAC name of methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate (CID 60787394) is methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate?
The canonical SMILES for methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate is CNC(C)(C(=O)OC)c1ccc(F)cc1F.
What is the InChIKey of methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate?
The InChIKey is QMUDIALXHDZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-11(14-2,10(15)16-3)8-5-4-7(12)6-9(8)13/h4-6,14H,1-3H3.
What are the key properties of methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate?
methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate has a molecular weight of 229.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate is sourced from PubChem (CID 60787394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).