(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone

C14H19FN2O2 — CID 103295933

IUPAC(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2CC(C)OCC2C)c1F
InChIInChI=1S/C14H19FN2O2/c1-8-4-11(16)5-12(13(8)15)14(18)17-6-10(3)19-7-9(17)2/h4-5,9-10H,6-7,16H2,1-3H3
InChIKeyQUCRLDSJEPFFII-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.97
Rot. Bonds1

About (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone

(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 103295933) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID103295933
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCc1cc(N)cc(C(=O)N2CC(C)OCC2C)c1F
InChIInChI=1S/C14H19FN2O2/c1-8-4-11(16)5-12(13(8)15)14(18)17-6-10(3)19-7-9(17)2/h4-5,9-10H,6-7,16H2,1-3H3
InChIKeyQUCRLDSJEPFFII-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluoro-3-methylphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 103296644
(2,4-diaminophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095610
(2,5-dimethylmorpholin-4-yl)-(2-fluoro-4-methylphenyl)methanone
CID 79771017
(5-amino-2-methoxyphenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 61095416
(4-amino-2-chlorophenyl)-(2,5-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119729193
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103296942
(2,5-dimethylfuran-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 128927247
(2,5-dimethylmorpholin-4-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103887571
(4-amino-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 81242861
(2-amino-5-bromo-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 62155154
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone (CID 103295933) is (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone is Cc1cc(N)cc(C(=O)N2CC(C)OCC2C)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is QUCRLDSJEPFFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8-4-11(16)5-12(13(8)15)14(18)17-6-10(3)19-7-9(17)2/h4-5,9-10H,6-7,16H2,1-3H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone?
(5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 266.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 103295933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).