[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone

C15H17FN2O2 — CID 60822242

IUPAC[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(F)cc1C#CCN
InChIInChI=1S/C15H17FN2O2/c1-11-10-20-8-7-18(11)15(19)14-5-4-13(16)9-12(14)3-2-6-17/h4-5,9,11H,6-8,10,17H2,1H3
InChIKeyXRJWMRQLJSDWBB-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.00
Rot. Bonds1

About [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone

[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone (PubChem CID 60822242) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone
PubChem CID60822242
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1ccc(F)cc1C#CCN
InChIInChI=1S/C15H17FN2O2/c1-11-10-20-8-7-18(11)15(19)14-5-4-13(16)9-12(14)3-2-6-17/h4-5,9,11H,6-8,10,17H2,1H3
InChIKeyXRJWMRQLJSDWBB-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.00
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)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone (CID 60822242) is [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1ccc(F)cc1C#CCN.
What is the InChIKey of [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone?
The InChIKey is XRJWMRQLJSDWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-11-10-20-8-7-18(11)15(19)14-5-4-13(16)9-12(14)3-2-6-17/h4-5,9,11H,6-8,10,17H2,1H3.
What are the key properties of [2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone?
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone has a molecular weight of 276.31 g/mol, XLogP of 1.00, 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)-4-fluorophenyl]-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 60822242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).