methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate

C16H17FN2O2 — CID 83119608

IUPACmethyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(C)c1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11(14-9-8-13(17)10-18-14)19-15(16(20)21-2)12-6-4-3-5-7-12/h3-11,15,19H,1-2H3
InChIKeyWAEHMLBSVOBYIA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate

methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate (PubChem CID 83119608) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
PubChem CID83119608
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Namemethyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate
SMILESCOC(=O)C(NC(C)c1ccc(F)cn1)c1ccccc1
InChIInChI=1S/C16H17FN2O2/c1-11(14-9-8-13(17)10-18-14)19-15(16(20)21-2)12-6-4-3-5-7-12/h3-11,15,19H,1-2H3
InChIKeyWAEHMLBSVOBYIA-UHFFFAOYSA-N
XLogP2.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylethanol
CID 103894880
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
N-[cyclopropyl(phenyl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117763
methyl 3-(5-fluoro-2-pyridinyl)-2-hydroxybutanoate
CID 83128638
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
methyl 2-[1-(1-methylpyrazol-4-yl)ethylamino]-2-phenylacetate
CID 62108797
N-[1-(5-fluoro-2-pyridinyl)ethyl]aniline
CID 83117498
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
N-[1-(5-fluoro-2-pyridinyl)ethyl]-3-phenylbutan-1-amine
CID 83119801
2-[1-(5-fluoro-2-pyridinyl)ethylamino]-3-phenylpropan-1-ol
CID 83119110
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
(2S)-2-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 103895006

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate (CID 83119608) is methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate is COC(=O)C(NC(C)c1ccc(F)cn1)c1ccccc1.
What is the InChIKey of methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate?
The InChIKey is WAEHMLBSVOBYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-11(14-9-8-13(17)10-18-14)19-15(16(20)21-2)12-6-4-3-5-7-12/h3-11,15,19H,1-2H3.
What are the key properties of methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate?
methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate has a molecular weight of 288.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-phenylacetate is sourced from PubChem (CID 83119608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).