2-(dibutylamino)-2-(4-fluorophenyl)acetic acid

C16H24FNO2 — CID 82345151

IUPAC2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
SMILESCCCCN(CCCC)C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-3-5-11-18(12-6-4-2)15(16(19)20)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyGPMGLFRGTAQLKO-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.85
Rot. Bonds9

About 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid

2-(dibutylamino)-2-(4-fluorophenyl)acetic acid (PubChem CID 82345151) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
PubChem CID82345151
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
SMILESCCCCN(CCCC)C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H24FNO2/c1-3-5-11-18(12-6-4-2)15(16(19)20)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyGPMGLFRGTAQLKO-UHFFFAOYSA-N
XLogP3.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-[butyl(ethyl)amino]-2-(4-fluorophenyl)ethanethioamide
CID 84749057
2-(4-fluorophenyl)heptanoic acid
CID 79435490
2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid
CID 138045782
2-(4-fluorophenyl)nonanoic acid
CID 79434490
methyl 2-(dibutylamino)-2-(4-methoxyphenyl)acetate
CID 169443554
2-[[2-amino-1-(4-fluorophenyl)ethyl]-butylamino]ethanol
CID 55016257
ethyl 2-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl-pentylamino]acetate
CID 58075711

Frequently Asked Questions

What is the IUPAC name of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid (CID 82345151) is 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid is CCCCN(CCCC)C(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
The InChIKey is GPMGLFRGTAQLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-3-5-11-18(12-6-4-2)15(16(19)20)13-7-9-14(17)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid?
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid has a molecular weight of 281.37 g/mol, XLogP of 3.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 82345151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).