2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one

C15H21FN2O2 — CID 79806023

IUPAC2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-3-15(2,17)14(19)18-8-9-20-13(10-18)11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,17H2,1-2H3
InChIKeyUXZXVYJYSLJMDV-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.85
Rot. Bonds3

About 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one

2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one (PubChem CID 79806023) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
PubChem CID79806023
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-3-15(2,17)14(19)18-8-9-20-13(10-18)11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,17H2,1-2H3
InChIKeyUXZXVYJYSLJMDV-UHFFFAOYSA-N
XLogP1.85
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 84545325
1-[2-(4-ethylphenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110364011
2-(aminomethyl)-2-ethyl-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 115432162
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
1-[2-(4-fluorophenyl)morpholin-4-yl]but-2-en-1-one
CID 112727083
6-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]hexan-1-one
CID 60963489

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one (CID 79806023) is 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one is CCC(C)(N)C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
The InChIKey is UXZXVYJYSLJMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-3-15(2,17)14(19)18-8-9-20-13(10-18)11-4-6-12(16)7-5-11/h4-7,13H,3,8-10,17H2,1-2H3.
What are the key properties of 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one?
2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one has a molecular weight of 280.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one is sourced from PubChem (CID 79806023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).