methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate

C12H16FNO3 — CID 113389444

IUPACmethyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(C)N)cc1F
InChIInChI=1S/C12H16FNO3/c1-7(14)9-4-5-11(10(13)6-9)17-8(2)12(15)16-3/h4-8H,14H2,1-3H3
InChIKeyDQHTYTXNILCZHQ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.79
Rot. Bonds4

About methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate

methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate (PubChem CID 113389444) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
PubChem CID113389444
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Namemethyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(C(C)N)cc1F
InChIInChI=1S/C12H16FNO3/c1-7(14)9-4-5-11(10(13)6-9)17-8(2)12(15)16-3/h4-8H,14H2,1-3H3
InChIKeyDQHTYTXNILCZHQ-UHFFFAOYSA-N
XLogP1.79
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]propanoate
CID 63366880
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460
methyl (2R)-2-(2,4-difluorophenoxy)propanoate
CID 40645997
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
methyl 2-[4-(4-amino-2-fluorophenoxy)-2-fluorophenoxy]propanoate
CID 14855595
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
(1R)-1-[3-fluoro-4-(1-phenylethoxy)phenyl]ethanamine
CID 63370497
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]propanoic acid
CID 55189911
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-2-methylpropanamide
CID 113389494
2-(4-amino-2-fluorophenoxy)propanamide
CID 43259260
(1R)-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]ethanamine
CID 29003344

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate?
The IUPAC name of methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate (CID 113389444) is methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate?
The canonical SMILES for methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate is COC(=O)C(C)Oc1ccc(C(C)N)cc1F.
What is the InChIKey of methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate?
The InChIKey is DQHTYTXNILCZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-7(14)9-4-5-11(10(13)6-9)17-8(2)12(15)16-3/h4-8H,14H2,1-3H3.
What are the key properties of methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate?
methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate has a molecular weight of 241.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-aminoethyl)-2-fluorophenoxy]propanoate is sourced from PubChem (CID 113389444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).