2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid

C13H18FNO3 — CID 84749017

IUPAC2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
SMILESCCN(CCO)C(C(=O)O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H18FNO3/c1-3-15(6-7-16)12(13(17)18)10-4-5-11(14)9(2)8-10/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyYXYGIWIBXRCOSA-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.57
Rot. Bonds6

About 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid

2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid (PubChem CID 84749017) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
PubChem CID84749017
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
SMILESCCN(CCO)C(C(=O)O)c1ccc(F)c(C)c1
InChIInChI=1S/C13H18FNO3/c1-3-15(6-7-16)12(13(17)18)10-4-5-11(14)9(2)8-10/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,17,18)
InChIKeyYXYGIWIBXRCOSA-UHFFFAOYSA-N
XLogP1.57
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
2-[benzyl-[2-(dimethylamino)ethyl]amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 47000128
2-[(3-ethoxy-3-oxopropyl)-methylamino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749032
3-(diethylamino)-2-(4-fluoro-3-methylphenyl)propanoic acid
CID 112508985
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-(3,5-dichlorophenyl)-2-(diethylamino)acetic acid
CID 54919956
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
1-(4-fluoro-3-methylphenyl)-2-[2-hydroxyethyl(methyl)amino]ethanol
CID 82216731
2-[[2-chloro-2-(4-fluoro-3-methylphenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82215354

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid (CID 84749017) is 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid is CCN(CCO)C(C(=O)O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid?
The InChIKey is YXYGIWIBXRCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-3-15(6-7-16)12(13(17)18)10-4-5-11(14)9(2)8-10/h4-5,8,12,16H,3,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid?
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid has a molecular weight of 255.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid is sourced from PubChem (CID 84749017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).