2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid

C12H16FNO3 — CID 107170360

IUPAC2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
SMILESCCNC(COc1ccc(C)c(F)c1)C(=O)O
InChIInChI=1S/C12H16FNO3/c1-3-14-11(12(15)16)7-17-9-5-4-8(2)10(13)6-9/h4-6,11,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyAKOIAMYGPOSOBQ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.58
Rot. Bonds6

About 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid

2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid (PubChem CID 107170360) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
PubChem CID107170360
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid
SMILESCCNC(COc1ccc(C)c(F)c1)C(=O)O
InChIInChI=1S/C12H16FNO3/c1-3-14-11(12(15)16)7-17-9-5-4-8(2)10(13)6-9/h4-6,11,14H,3,7H2,1-2H3,(H,15,16)
InChIKeyAKOIAMYGPOSOBQ-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(3-fluoro-4-methylphenoxy)-2-(propylamino)propanoate
CID 107170379
N-ethyl-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168983
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
ethyl 2-(cyclopropylamino)-3-(3-fluoro-4-methylphenoxy)propanoate
CID 107170380
N-ethyl-2-(3-fluoro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
CID 107168988
3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid
CID 155714293
4-(3-fluoro-4-methylphenoxy)-2-(methylamino)butanamide
CID 107170389
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
6-(3-fluoro-4-methylphenoxy)hexan-3-one
CID 107169821
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid?
The IUPAC name of 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid (CID 107170360) is 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid?
The canonical SMILES for 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid is CCNC(COc1ccc(C)c(F)c1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid?
The InChIKey is AKOIAMYGPOSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-3-14-11(12(15)16)7-17-9-5-4-8(2)10(13)6-9/h4-6,11,14H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid?
2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid has a molecular weight of 241.26 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-fluoro-4-methylphenoxy)propanoic acid is sourced from PubChem (CID 107170360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).