3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one

C18H26FNO2 — CID 110354740

IUPAC3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
SMILESCc1cc(C(CC(=O)N2CCOC(C)C2)C(C)C)ccc1F
InChIInChI=1S/C18H26FNO2/c1-12(2)16(15-5-6-17(19)13(3)9-15)10-18(21)20-7-8-22-14(4)11-20/h5-6,9,12,14,16H,7-8,10-11H2,1-4H3
InChIKeyKHQRVZJGKFJJIM-UHFFFAOYSA-N
MW307.41 g/mol
LogP3.51
Rot. Bonds4

About 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one

3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one (PubChem CID 110354740) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
PubChem CID110354740
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Name3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
SMILESCc1cc(C(CC(=O)N2CCOC(C)C2)C(C)C)ccc1F
InChIInChI=1S/C18H26FNO2/c1-12(2)16(15-5-6-17(19)13(3)9-15)10-18(21)20-7-8-22-14(4)11-20/h5-6,9,12,14,16H,7-8,10-11H2,1-4H3
InChIKeyKHQRVZJGKFJJIM-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(4-fluoro-3-methylphenyl)-4-methylpentanoic acid
CID 42073479
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
3-(4-fluorophenyl)-1-(2-methylmorpholin-4-yl)-3-thiophen-2-ylpropan-1-one
CID 71510686
(2R)-4-N-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]morpholine-2,4-dicarboxamide
CID 125135868
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
[2-(chloromethyl)morpholin-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 81210108
2-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylmorpholin-4-yl)ethanone
CID 24576414
3-cyclopropyl-3-(4-fluoro-3-methylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 110304874
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
1-(4-fluorophenyl)-4-(2-methylmorpholin-4-yl)butane-1,4-dione
CID 110310053
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one (CID 110354740) is 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one is Cc1cc(C(CC(=O)N2CCOC(C)C2)C(C)C)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
The InChIKey is KHQRVZJGKFJJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-12(2)16(15-5-6-17(19)13(3)9-15)10-18(21)20-7-8-22-14(4)11-20/h5-6,9,12,14,16H,7-8,10-11H2,1-4H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one?
3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one has a molecular weight of 307.41 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one is sourced from PubChem (CID 110354740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).