(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride

C16H25ClN2O2 — CID 119336365

IUPAC(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
SMILESCc1ccc(C)c(C2CN(C(=O)[C@H](C)N)C(C)CO2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-10-5-6-11(2)14(7-10)15-8-18(12(3)9-20-15)16(19)13(4)17;/h5-7,12-13,15H,8-9,17H2,1-4H3;1H/t12?,13-,15?;/m0./s1
InChIKeyXSLMYGIEVSJYOC-JYGFLIHTSA-N
MW312.84 g/mol
LogP2.36
Rot. Bonds2

About (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride

(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride (PubChem CID 119336365) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
PubChem CID119336365
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
SMILESCc1ccc(C)c(C2CN(C(=O)[C@H](C)N)C(C)CO2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-10-5-6-11(2)14(7-10)15-8-18(12(3)9-20-15)16(19)13(4)17;/h5-7,12-13,15H,8-9,17H2,1-4H3;1H/t12?,13-,15?;/m0./s1
InChIKeyXSLMYGIEVSJYOC-JYGFLIHTSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propan-1-one
CID 154740422
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
CID 119806064
[(2S,5R)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607190
[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 125141625
[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 125141624
1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
CID 119806076
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
1-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 124685919
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
5-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]pyrazine-2-carboxamide
CID 100640005
(2R,5R)-4-(2,2-dimethoxyethyl)-2-(2,5-dimethylphenyl)-5-methylmorpholine
CID 99640572
(2R)-2-amino-1-[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 124595969

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride (CID 119336365) is (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride is Cc1ccc(C)c(C2CN(C(=O)[C@H](C)N)C(C)CO2)c1.Cl.
What is the InChIKey of (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride?
The InChIKey is XSLMYGIEVSJYOC-JYGFLIHTSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-10-5-6-11(2)14(7-10)15-8-18(12(3)9-20-15)16(19)13(4)17;/h5-7,12-13,15H,8-9,17H2,1-4H3;1H/t12?,13-,15?;/m0./s1.
What are the key properties of (2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride?
(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.36, 2 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-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119336365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).