methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate

C12H16FNO3 — CID 83069869

IUPACmethyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H16FNO3/c1-8(14-7-12(15)17-3)9-4-5-10(13)11(6-9)16-2/h4-6,8,14H,7H2,1-3H3
InChIKeyCYMBQTQSMNXGQJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate

methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate (PubChem CID 83069869) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
PubChem CID83069869
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate
SMILESCOC(=O)CNC(C)c1ccc(F)c(OC)c1
InChIInChI=1S/C12H16FNO3/c1-8(14-7-12(15)17-3)9-4-5-10(13)11(6-9)16-2/h4-6,8,14H,7H2,1-3H3
InChIKeyCYMBQTQSMNXGQJ-UHFFFAOYSA-N
XLogP1.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(3-chloro-4-fluorophenyl)ethylamino]acetate
CID 43200173
[4-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]phenyl]methanol
CID 103947395
3-[2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]ethyl]-1,1-dimethylurea
CID 83116462
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 82878666
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2,2-dimethoxyethanamine
CID 83075210
1-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 82994461
3-fluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]propan-1-amine
CID 115894721
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 82994028
1-(4-fluoro-3-methoxyphenyl)-N-(2-methylsulfinylethyl)ethanamine
CID 115879329
methyl (3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)propanoate;hydrochloride
CID 171241570
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667
2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]propanamide
CID 82993586

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate?
The IUPAC name of methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate (CID 83069869) is methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate.
What is the SMILES notation for methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate?
The canonical SMILES for methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate is COC(=O)CNC(C)c1ccc(F)c(OC)c1.
What is the InChIKey of methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate?
The InChIKey is CYMBQTQSMNXGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(14-7-12(15)17-3)9-4-5-10(13)11(6-9)16-2/h4-6,8,14H,7H2,1-3H3.
What are the key properties of methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate?
methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate has a molecular weight of 241.26 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-fluoro-3-methoxyphenyl)ethylamino]acetate is sourced from PubChem (CID 83069869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).