2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one

C15H22N2O2 — CID 106774544

IUPAC2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2/c1-11-10-19-9-8-17(11)14(18)15(2,3)12-4-6-13(16)7-5-12/h4-7,11H,8-10,16H2,1-3H3/t11-/m1/s1
InChIKeyPHCWOSADLBMOLI-LLVKDONJSA-N
MW262.35 g/mol
LogP1.79
Rot. Bonds2

About 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one

2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one (PubChem CID 106774544) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
PubChem CID106774544
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one
SMILESC[C@@H]1COCCN1C(=O)C(C)(C)c1ccc(N)cc1
InChIInChI=1S/C15H22N2O2/c1-11-10-19-9-8-17(11)14(18)15(2,3)12-4-6-13(16)7-5-12/h4-7,11H,8-10,16H2,1-3H3/t11-/m1/s1
InChIKeyPHCWOSADLBMOLI-LLVKDONJSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
3-amino-2,2,3-trimethyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774586
4-amino-N-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 106774568
1-(4-tert-butylphenyl)-2-[(3S)-3-methylmorpholin-4-yl]ethane-1,2-dione
CID 94806855
2-(4-aminophenyl)-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 80556796
(5-amino-2-methylphenyl)-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120623273
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
2-amino-2-methyl-1-(3-methylmorpholin-4-yl)pentan-1-one
CID 60848214
[5-amino-2-(dimethylamino)phenyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106773568
tert-butyl (3R)-3-(4-aminophenyl)morpholine-4-carboxylate
CID 67388382
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
CID 80556940

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one (CID 106774544) is 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one is C[C@@H]1COCCN1C(=O)C(C)(C)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
The InChIKey is PHCWOSADLBMOLI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-10-19-9-8-17(11)14(18)15(2,3)12-4-6-13(16)7-5-12/h4-7,11H,8-10,16H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one?
2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-1-[(3R)-3-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 106774544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).