3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one

C21H26N2O2 — CID 120610322

IUPAC3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)CCc1ccccc1N
InChIInChI=1S/C21H26N2O2/c1-21(2)15-25-19(17-9-4-3-5-10-17)14-23(21)20(24)13-12-16-8-6-7-11-18(16)22/h3-11,19H,12-15,22H2,1-2H3
InChIKeyYHGKHSOYQROVGZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds4

About 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one

3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 120610322) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
PubChem CID120610322
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)CCc1ccccc1N
InChIInChI=1S/C21H26N2O2/c1-21(2)15-25-19(17-9-4-3-5-10-17)14-23(21)20(24)13-12-16-8-6-7-11-18(16)22/h3-11,19H,12-15,22H2,1-2H3
InChIKeyYHGKHSOYQROVGZ-UHFFFAOYSA-N
XLogP3.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
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-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110327358
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-5,5-dimethyl-2-phenylmorpholin-4-yl]propan-1-one
CID 95173306
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
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
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
CID 110327302
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-(2-methoxy-4-methylphenoxy)propan-1-one
CID 86883627
3-(2-aminophenyl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 120607548
1-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]pentan-1-one
CID 110327503
3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
CID 119769752

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one (CID 120610322) is 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one is CC1(C)COC(c2ccccc2)CN1C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is YHGKHSOYQROVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2)15-25-19(17-9-4-3-5-10-17)14-23(21)20(24)13-12-16-8-6-7-11-18(16)22/h3-11,19H,12-15,22H2,1-2H3.
What are the key properties of 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one?
3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 120610322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).