methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate

C11H14FNO2 — CID 65235054

IUPACmethyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-13-10(7-11(14)15-2)8-5-3-4-6-9(8)12/h3-6,10,13H,7H2,1-2H3
InChIKeyCJMXPNGKGVQTNU-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.65
Rot. Bonds4

About methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate

methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate (PubChem CID 65235054) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
PubChem CID65235054
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Namemethyl 3-(2-fluorophenyl)-3-(methylamino)propanoate
SMILESCNC(CC(=O)OC)c1ccccc1F
InChIInChI=1S/C11H14FNO2/c1-13-10(7-11(14)15-2)8-5-3-4-6-9(8)12/h3-6,10,13H,7H2,1-2H3
InChIKeyCJMXPNGKGVQTNU-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-fluorophenyl)-4-methoxy-4-oxobutanoic acid
CID 157200249
methyl (3R)-4-fluoro-3-(2-fluorophenyl)butanoate
CID 162412493
1-(2-fluorophenyl)-N-methyl-3-methylidenepentan-1-amine
CID 66037563
1-(2-fluorophenyl)-N-methyl-2-methylsulfanylethanamine
CID 62692362
methyl (3S)-3-[[(1S)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate
CID 36517451
methyl (3S)-3-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]-3-thiophen-2-ylpropanoate
CID 36517458
methyl 2-(2-fluorophenyl)-3-hydroxypropanoate
CID 117244488
methyl 3-(3,5-difluorophenyl)-3-(methylamino)propanoate
CID 106534445
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
N-ethyl-N-[2-(2-fluorophenyl)-2-(methylamino)ethyl]acetamide
CID 145342139
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
tert-butyl-[[(1S)-1-(2-chloro-3-fluorophenyl)-3-methoxy-3-oxopropyl]amino]-oxidosulfanium
CID 173470566

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate?
The IUPAC name of methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate (CID 65235054) is methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate.
What is the SMILES notation for methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate?
The canonical SMILES for methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate is CNC(CC(=O)OC)c1ccccc1F.
What is the InChIKey of methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate?
The InChIKey is CJMXPNGKGVQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-13-10(7-11(14)15-2)8-5-3-4-6-9(8)12/h3-6,10,13H,7H2,1-2H3.
What are the key properties of methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate?
methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate has a molecular weight of 211.24 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenyl)-3-(methylamino)propanoate is sourced from PubChem (CID 65235054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).