methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate

C13H18FNO3 — CID 63066050

IUPACmethyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
SMILESCCNC(C)c1ccc(F)cc1OCC(=O)OC
InChIInChI=1S/C13H18FNO3/c1-4-15-9(2)11-6-5-10(14)7-12(11)18-8-13(16)17-3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyOPEZEZQKRWSNSW-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.05
Rot. Bonds6

About methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate

methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate (PubChem CID 63066050) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
PubChem CID63066050
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Namemethyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate
SMILESCCNC(C)c1ccc(F)cc1OCC(=O)OC
InChIInChI=1S/C13H18FNO3/c1-4-15-9(2)11-6-5-10(14)7-12(11)18-8-13(16)17-3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyOPEZEZQKRWSNSW-UHFFFAOYSA-N
XLogP2.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
1-[2-(2-ethoxyethoxy)-4-fluorophenyl]-N-ethylethanamine
CID 55180092
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N,N-dimethylacetamide
CID 63066754
N-ethyl-1-[4-fluoro-2-(2-phenylethoxy)phenyl]ethanamine
CID 63066226
N-carbamoyl-2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]propanamide
CID 63066392
N-cyclopropyl-2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]propanamide
CID 63066220
2-[5-fluoro-2-[1-(propylamino)ethyl]phenoxy]-N-prop-2-ynylacetamide
CID 63066740
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
1-[2-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-N-ethylethanamine
CID 63487243

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate?
The IUPAC name of methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate (CID 63066050) is methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate?
The canonical SMILES for methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate is CCNC(C)c1ccc(F)cc1OCC(=O)OC.
What is the InChIKey of methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate?
The InChIKey is OPEZEZQKRWSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-4-15-9(2)11-6-5-10(14)7-12(11)18-8-13(16)17-3/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate?
methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate has a molecular weight of 255.29 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]acetate is sourced from PubChem (CID 63066050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).