(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

C14H19FN2O2 — CID 60862183

IUPAC(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1c(N)cc(C(=O)N2CC(C)OC(C)C2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-8-6-17(7-9(2)19-8)14(18)11-4-12(15)10(3)13(16)5-11/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeyDAIHTAOTSBYYFA-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.97
Rot. Bonds1

About (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone

(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 60862183) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID60862183
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCc1c(N)cc(C(=O)N2CC(C)OC(C)C2)cc1F
InChIInChI=1S/C14H19FN2O2/c1-8-6-17(7-9(2)19-8)14(18)11-4-12(15)10(3)13(16)5-11/h4-5,8-9H,6-7,16H2,1-3H3
InChIKeyDAIHTAOTSBYYFA-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

[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
(3-amino-5-fluoro-4-methylphenyl)-morpholin-4-ylmethanone
CID 54927621
(3-amino-5-fluoro-4-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63166231
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102932485
(4-bromo-3-fluorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 103932972
(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102937402
4-(3-amino-5-fluoro-4-methylbenzoyl)piperazine-1-sulfonamide
CID 61140079
2-(3-amino-5-fluoro-4-methylbenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856756
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
5-(2,6-dimethylmorpholine-4-carbonyl)-2,3-dimethylbenzenesulfonamide
CID 86977784
[3-amino-4-(dimethylamino)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957657

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 60862183) is (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is Cc1c(N)cc(C(=O)N2CC(C)OC(C)C2)cc1F.
What is the InChIKey of (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is DAIHTAOTSBYYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8-6-17(7-9(2)19-8)14(18)11-4-12(15)10(3)13(16)5-11/h4-5,8-9H,6-7,16H2,1-3H3.
What are the key properties of (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone?
(3-amino-5-fluoro-4-methylphenyl)-(2,6-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 (3-amino-5-fluoro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 60862183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).