(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride

C15H23ClN2O2 — CID 119294272

IUPAC(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1(C)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(2)11-17(8-9-19-15)14(18)13(16)10-12-6-4-3-5-7-12;/h3-7,13H,8-11,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyZKKNJNSCDOCZBY-ZOWNYOTGSA-N
MW298.81 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride (PubChem CID 119294272) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
PubChem CID119294272
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride
SMILESCC1(C)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-15(2)11-17(8-9-19-15)14(18)13(16)10-12-6-4-3-5-7-12;/h3-7,13H,8-11,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyZKKNJNSCDOCZBY-ZOWNYOTGSA-N
XLogP1.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-phenylbutan-1-one
CID 104983964
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 61156306
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
1-[(2S)-2-amino-3-phenylpropanoyl]-3-methylpiperidine-3-carboxylic acid
CID 63134188
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-4-methylsulfanylbutan-1-one;hydrochloride
CID 119294273
1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-2-amine
CID 43592951
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430243
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride (CID 119294272) is (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride is CC1(C)CN(C(=O)[C@@H](N)Cc2ccccc2)CCO1.Cl.
What is the InChIKey of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
The InChIKey is ZKKNJNSCDOCZBY-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-15(2)11-17(8-9-19-15)14(18)13(16)10-12-6-4-3-5-7-12;/h3-7,13H,8-11,16H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride?
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119294272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).