ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate

C13H18FNO2 — CID 115257573

IUPACethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-3-17-13(16)10-15(2)9-8-11-6-4-5-7-12(11)14/h4-7H,3,8-10H2,1-2H3
InChIKeyISLVOQYOUZKYTE-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.86
Rot. Bonds6

About ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate

ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate (PubChem CID 115257573) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
PubChem CID115257573
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Nameethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate
SMILESCCOC(=O)CN(C)CCc1ccccc1F
InChIInChI=1S/C13H18FNO2/c1-3-17-13(16)10-15(2)9-8-11-6-4-5-7-12(11)14/h4-7H,3,8-10H2,1-2H3
InChIKeyISLVOQYOUZKYTE-UHFFFAOYSA-N
XLogP1.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[methyl-[2-(2-methylphenyl)ethyl]amino]acetate
CID 115257571
ethyl 3-[(2,3-difluorophenyl)methyl-methylamino]propanoate
CID 62012016
3-[2-(2-fluorophenyl)ethyl-methylamino]propanoic acid
CID 94259708
methyl 2-[[2-(2-fluorophenyl)ethyl-methylamino]methyl]butanoate
CID 115253257
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
ethyl 2-[benzyl-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]amino]acetate
CID 140519890
methyl 3-[2-(2-fluorophenyl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233720
ethyl 2-[2-(2-fluorophenyl)ethylcarbamoylamino]acetate
CID 43385174
ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
ethyl 2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetate
CID 78812762
ethyl 3-[(2-fluorophenyl)methoxy]propanoate
CID 63931594

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate?
The IUPAC name of ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate (CID 115257573) is ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate is CCOC(=O)CN(C)CCc1ccccc1F.
What is the InChIKey of ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate?
The InChIKey is ISLVOQYOUZKYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-3-17-13(16)10-15(2)9-8-11-6-4-5-7-12(11)14/h4-7H,3,8-10H2,1-2H3.
What are the key properties of ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate?
ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate has a molecular weight of 239.29 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-fluorophenyl)ethyl-methylamino]acetate is sourced from PubChem (CID 115257573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).