[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone

C16H19FN2O2 — CID 60822361

IUPAC[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(F)ccc2C#CCN)C(C)CO1
InChIInChI=1S/C16H19FN2O2/c1-11-10-21-12(2)9-19(11)16(20)15-8-14(17)6-5-13(15)4-3-7-18/h5-6,8,11-12H,7,9-10,18H2,1-2H3
InChIKeyFPLZVHOPKVGGKU-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.39
Rot. Bonds1

About [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone

[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 60822361) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID60822361
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(F)ccc2C#CCN)C(C)CO1
InChIInChI=1S/C16H19FN2O2/c1-11-10-21-12(2)9-19(11)16(20)15-8-14(17)6-5-13(15)4-3-7-18/h5-6,8,11-12H,7,9-10,18H2,1-2H3
InChIKeyFPLZVHOPKVGGKU-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone (CID 60822361) is [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(F)ccc2C#CCN)C(C)CO1.
What is the InChIKey of [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is FPLZVHOPKVGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-10-21-12(2)9-19(11)16(20)15-8-14(17)6-5-13(15)4-3-7-18/h5-6,8,11-12H,7,9-10,18H2,1-2H3.
What are the key properties of [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone?
[2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 290.34 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminoprop-1-ynyl)-5-fluorophenyl]-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 60822361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).