1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride

C16H24ClFN2O2 — CID 119799303

IUPAC1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CC(C)OC(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-11(8-18-3)16(20)19-9-12(2)21-15(10-19)13-4-6-14(17)7-5-13;/h4-7,11-12,15,18H,8-10H2,1-3H3;1H
InChIKeyRVZTVEJYYZSTJB-UHFFFAOYSA-N
MW330.83 g/mol
LogP2.39
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride

1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride (PubChem CID 119799303) has the molecular formula C16H24ClFN2O2 and a molecular weight of 330.83 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
PubChem CID119799303
Molecular FormulaC16H24ClFN2O2
Molecular Weight330.83 g/mol
Exact Mass330.15
IUPAC Name1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
SMILESCNCC(C)C(=O)N1CC(C)OC(c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C16H23FN2O2.ClH/c1-11(8-18-3)16(20)19-9-12(2)21-15(10-19)13-4-6-14(17)7-5-13;/h4-7,11-12,15,18H,8-10H2,1-3H3;1H
InChIKeyRVZTVEJYYZSTJB-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.83
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 84588635
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
cyclopropyl-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369168
(4-chlorophenyl)-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 110369215
1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119799317
[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone
CID 124626418
[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120635305
[5-(aminomethyl)furan-2-yl]-[(2R,6R)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone
CID 124694866
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]methanone;hydrochloride
CID 120635303
N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]-4-fluorobenzenesulfonamide
CID 27661594
[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-[(4S)-1,3-thiazolidin-4-yl]methanone
CID 124697908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride (CID 119799303) is 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride is CNCC(C)C(=O)N1CC(C)OC(c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
The InChIKey is RVZTVEJYYZSTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2.ClH/c1-11(8-18-3)16(20)19-9-12(2)21-15(10-19)13-4-6-14(17)7-5-13;/h4-7,11-12,15,18H,8-10H2,1-3H3;1H.
What are the key properties of 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride?
1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride has a molecular weight of 330.83 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 119799303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).