2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid

C14H20FNO2 — CID 84747268

IUPAC2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-5-9-16(4-2)13(14(17)18)11-7-6-8-12(15)10-11/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyUTXGPGMVZQPVNI-UHFFFAOYSA-N
MW253.32 g/mol
LogP3.07
Rot. Bonds7

About 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid

2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid (PubChem CID 84747268) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
PubChem CID84747268
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
SMILESCCCCN(CC)C(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C14H20FNO2/c1-3-5-9-16(4-2)13(14(17)18)11-7-6-8-12(15)10-11/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18)
InChIKeyUTXGPGMVZQPVNI-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[butyl(ethyl)amino]-2-(3,4-difluorophenyl)acetic acid
CID 84747042
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
3-[[2-amino-1-(3-fluorophenyl)-2-sulfanylideneethyl]-ethylamino]propanoic acid
CID 84750093
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetic acid
CID 61446531
2-[butyl(ethyl)amino]-2-phenylacetamide
CID 82041318
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
2-[butyl(methyl)amino]-2-(3-fluorophenyl)ethanethioamide
CID 84749871
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
2-[ethyl(2-hydroxyethyl)amino]-2-(4-fluoro-3-methylphenyl)acetic acid
CID 84749017
2-[butyl(ethyl)amino]-2-(2-hydroxy-5-methylphenyl)acetic acid
CID 84748642

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid?
The IUPAC name of 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid (CID 84747268) is 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid?
The canonical SMILES for 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid is CCCCN(CC)C(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid?
The InChIKey is UTXGPGMVZQPVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-5-9-16(4-2)13(14(17)18)11-7-6-8-12(15)10-11/h6-8,10,13H,3-5,9H2,1-2H3,(H,17,18).
What are the key properties of 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid?
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid has a molecular weight of 253.32 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid is sourced from PubChem (CID 84747268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).