2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid

C15H16FNO3 — CID 138045782

IUPAC2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid
SMILESCCN(Cc1ccoc1)C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c1-2-17(9-11-7-8-20-10-11)14(15(18)19)12-3-5-13(16)6-4-12/h3-8,10,14H,2,9H2,1H3,(H,18,19)
InChIKeySKTDTELAZQWSQF-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.07
Rot. Bonds6

About 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid

2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid (PubChem CID 138045782) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid
PubChem CID138045782
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid
SMILESCCN(Cc1ccoc1)C(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H16FNO3/c1-2-17(9-11-7-8-20-10-11)14(15(18)19)12-3-5-13(16)6-4-12/h3-8,10,14H,2,9H2,1H3,(H,18,19)
InChIKeySKTDTELAZQWSQF-UHFFFAOYSA-N
XLogP3.07
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-[4-(difluoromethyl)phenyl]acetic acid
CID 115525080
furan-3-ylmethyl (2S)-2-(diethylamino)-2-phenylacetate
CID 97262289
2-(dibutylamino)-2-(4-fluorophenyl)acetic acid
CID 82345151
(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[ethyl(2-hydroxyethyl)amino]-2-(4-ethylphenyl)acetic acid
CID 84748015
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-(diethylamino)-N-[(4-fluorophenyl)methyl]-2-phenylacetamide
CID 56538273
4-[furan-3-ylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498062
(2S)-2-[furan-3-ylmethyl(methyl)amino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97199161
N-ethyl-1-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
2-(3-chloro-4-fluorophenyl)-2-(diethylamino)acetic acid
CID 81154831
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid?
The IUPAC name of 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid (CID 138045782) is 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid?
The canonical SMILES for 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid is CCN(Cc1ccoc1)C(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid?
The InChIKey is SKTDTELAZQWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-2-17(9-11-7-8-20-10-11)14(15(18)19)12-3-5-13(16)6-4-12/h3-8,10,14H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid?
2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid has a molecular weight of 277.30 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(furan-3-ylmethyl)amino]-2-(4-fluorophenyl)acetic acid is sourced from PubChem (CID 138045782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).