(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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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).