(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride

C20H24ClFN2O2 — CID 84588635

IUPAC(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCC1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(c2ccc(F)cc2)O1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-14-12-23(13-19(25-14)16-7-9-17(21)10-8-16)20(24)18(22)11-15-5-3-2-4-6-15;/h2-10,14,18-19H,11-13,22H2,1H3;1H/t14?,18-,19?;/m0./s1
InChIKeyCCPSMRKSPJYIRP-RIEIPRJVSA-N
MW378.88 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride (PubChem CID 84588635) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
PubChem CID84588635
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
SMILESCC1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(c2ccc(F)cc2)O1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-14-12-23(13-19(25-14)16-7-9-17(21)10-8-16)20(24)18(22)11-15-5-3-2-4-6-15;/h2-10,14,18-19H,11-13,22H2,1H3;1H/t14?,18-,19?;/m0./s1
InChIKeyCCPSMRKSPJYIRP-RIEIPRJVSA-N
XLogP3.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propan-1-one
CID 119332587
(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119799303
2-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]ethanone
CID 110369198
(2S)-2-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104958580
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
2-amino-2-(4-methylphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 120667864
(2S)-2-amino-1-[2-(3,4-difluorophenyl)morpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 119315582
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride (CID 84588635) is (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride is CC1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(c2ccc(F)cc2)O1.Cl.
What is the InChIKey of (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
The InChIKey is CCPSMRKSPJYIRP-RIEIPRJVSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c1-14-12-23(13-19(25-14)16-7-9-17(21)10-8-16)20(24)18(22)11-15-5-3-2-4-6-15;/h2-10,14,18-19H,11-13,22H2,1H3;1H/t14?,18-,19?;/m0./s1.
What are the key properties of (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 84588635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).