3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one

C22H28N2O2 — CID 119769752

IUPAC3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)N1CC(c2ccccc2)OCC1(C)C)C(N)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(20(23)18-12-8-5-9-13-18)21(25)24-14-19(26-15-22(24,2)3)17-10-6-4-7-11-17/h4-13,16,19-20H,14-15,23H2,1-3H3
InChIKeyPUGWDDZSLDPRLF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.70
Rot. Bonds4

About 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one

3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one (PubChem CID 119769752) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
PubChem CID119769752
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
SMILESCC(C(=O)N1CC(c2ccccc2)OCC1(C)C)C(N)c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-16(20(23)18-12-8-5-9-13-18)21(25)24-14-19(26-15-22(24,2)3)17-10-6-4-7-11-17/h4-13,16,19-20H,14-15,23H2,1-3H3
InChIKeyPUGWDDZSLDPRLF-UHFFFAOYSA-N
XLogP3.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
3-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-phenylpropan-1-one
CID 119804296
(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
CID 120610322
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
(E)-4-amino-1-[2-(3-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pent-2-en-1-one
CID 167839223
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)azetidin-3-yl]propanoic acid
CID 116682227
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one (CID 119769752) is 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one is CC(C(=O)N1CC(c2ccccc2)OCC1(C)C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one?
The InChIKey is PUGWDDZSLDPRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(20(23)18-12-8-5-9-13-18)21(25)24-14-19(26-15-22(24,2)3)17-10-6-4-7-11-17/h4-13,16,19-20H,14-15,23H2,1-3H3.
What are the key properties of 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one?
3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one is sourced from PubChem (CID 119769752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).