methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate

C14H20FNO3 — CID 60681956

IUPACmethyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CCOc1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-11(14(17)18-3)10-16(2)8-9-19-13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyAUWUNFBKNRJTGV-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.95
Rot. Bonds7

About methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate

methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate (PubChem CID 60681956) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
PubChem CID60681956
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)CCOc1ccc(F)cc1
InChIInChI=1S/C14H20FNO3/c1-11(14(17)18-3)10-16(2)8-9-19-13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyAUWUNFBKNRJTGV-UHFFFAOYSA-N
XLogP1.95
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
methyl 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60682012
methyl 3-[2-(2-methoxyphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60965015
2-methyl-3-[methyl-[2-[4-(trifluoromethoxy)phenoxy]ethyl]amino]propanoic acid
CID 122120264
3-[2-(4-carbamothioylphenoxy)ethyl-methylamino]-N,2-dimethylpropanamide
CID 106915714
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 54995498
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
4-[2-[2-hydroxypropyl(methyl)amino]ethoxy]benzohydrazide
CID 55214410
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
methyl 3-[2-(2-bromo-4-chlorophenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60971207
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
2-[3-(4-fluorophenoxy)propyl-methylamino]propanamide
CID 46444990

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate (CID 60681956) is methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)CCOc1ccc(F)cc1.
What is the InChIKey of methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate?
The InChIKey is AUWUNFBKNRJTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-11(14(17)18-3)10-16(2)8-9-19-13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3.
What are the key properties of methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate?
methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate has a molecular weight of 269.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60681956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).