[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone

C19H28FNO2 — CID 155498952

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@H](C(C)C)O1
InChIInChI=1S/C19H28FNO2/c1-5-6-7-16-11-21(12-18(23-16)13(2)3)19(22)17-10-15(20)9-8-14(17)4/h8-10,13,16,18H,5-7,11-12H2,1-4H3/t16-,18-/m1/s1
InChIKeyZBUXZXBGQSUEEA-SJLPKXTDSA-N
MW321.44 g/mol
LogP4.19
Rot. Bonds5

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone (PubChem CID 155498952) has the molecular formula C19H28FNO2 and a molecular weight of 321.44 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
PubChem CID155498952
Molecular FormulaC19H28FNO2
Molecular Weight321.44 g/mol
Exact Mass321.21
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@H](C(C)C)O1
InChIInChI=1S/C19H28FNO2/c1-5-6-7-16-11-21(12-18(23-16)13(2)3)19(22)17-10-15(20)9-8-14(17)4/h8-10,13,16,18H,5-7,11-12H2,1-4H3/t16-,18-/m1/s1
InChIKeyZBUXZXBGQSUEEA-SJLPKXTDSA-N
XLogP4.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
CID 155508835
2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
CID 155508248
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 134707354
1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 155500622
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 155912826
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(5-fluoro-2-methylphenyl)methanone
CID 66211217
(3S,4S)-1-(5-fluoro-2-methylbenzoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950516
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
CID 134713725
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 95357618
1-(5-fluoro-2-methylphenyl)pentan-1-one
CID 62622324
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748
[4-[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]piperidin-1-yl]-phenylmethanone;formic acid
CID 155971738

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone (CID 155498952) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone is CCCC[C@@H]1CN(C(=O)c2cc(F)ccc2C)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is ZBUXZXBGQSUEEA-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H28FNO2/c1-5-6-7-16-11-21(12-18(23-16)13(2)3)19(22)17-10-15(20)9-8-14(17)4/h8-10,13,16,18H,5-7,11-12H2,1-4H3/t16-,18-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone has a molecular weight of 321.44 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 155498952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).