[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone

C14H18FNO2 — CID 103933005

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C14H18FNO2/c1-9-5-4-6-12(13(9)15)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyYJRMXHSJYBPCIP-PHIMTYICSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds1

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone (PubChem CID 103933005) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
PubChem CID103933005
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1F
InChIInChI=1S/C14H18FNO2/c1-9-5-4-6-12(13(9)15)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3/t10-,11+
InChIKeyYJRMXHSJYBPCIP-PHIMTYICSA-N
XLogP2.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(6R)-4-(2-chloro-3-methylbenzoyl)-6-methylmorpholine-2-carboxylic acid
CID 120536036
(3-amino-2-chlorophenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957666
(2-amino-3-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 113331638
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 39902934
(2-chloro-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934491
(2-bromo-3-fluorophenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932978

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone (CID 103933005) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone is Cc1cccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)c1F.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone?
The InChIKey is YJRMXHSJYBPCIP-PHIMTYICSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-5-4-6-12(13(9)15)14(17)16-7-10(2)18-11(3)8-16/h4-6,10-11H,7-8H2,1-3H3/t10-,11+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone has a molecular weight of 251.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone is sourced from PubChem (CID 103933005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).