(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

C15H22N2O2 — CID 61148531

IUPAC(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(C)O1
InChIInChI=1S/C15H22N2O2/c1-11-9-17(10-12(2)19-11)15(18)14(16)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyBHUDHSOVMOZBCA-YIZWMMSDSA-N
MW262.35 g/mol
LogP1.19
Rot. Bonds3

About (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one

(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (PubChem CID 61148531) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
PubChem CID61148531
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
SMILESCC1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(C)O1
InChIInChI=1S/C15H22N2O2/c1-11-9-17(10-12(2)19-11)15(18)14(16)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3/t11?,12?,14-/m0/s1
InChIKeyBHUDHSOVMOZBCA-YIZWMMSDSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[(2R,6S)-2-ethyl-6-methylmorpholin-4-yl]-3-phenylpropan-1-one
CID 125133936
(2S)-2-amino-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104958580
(2S)-2-amino-1-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-3-phenylpropan-1-one;hydrochloride
CID 84588635
2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
(2R)-2-amino-1-[(2R)-2-methyl-1,4-oxazepan-4-yl]-3-phenylpropan-1-one
CID 94907209
2-amino-1-(2-methyl-1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119316813
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
2-amino-1-(3,4-dimethoxypyrrolidin-1-yl)-3-phenylpropan-1-one
CID 103533196
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one (CID 61148531) is (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is CC1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(C)O1.
What is the InChIKey of (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
The InChIKey is BHUDHSOVMOZBCA-YIZWMMSDSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-9-17(10-12(2)19-11)15(18)14(16)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,16H2,1-2H3/t11?,12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one?
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.19, 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-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 61148531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).