(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone

C19H21NO2 — CID 110327302

IUPAC(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2)14-22-17(15-9-5-3-6-10-15)13-20(19)18(21)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeySXWOPMQQVOUJJH-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.68
Rot. Bonds2

About (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone

(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone (PubChem CID 110327302) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
PubChem CID110327302
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone
SMILESCC1(C)COC(c2ccccc2)CN1C(=O)c1ccccc1
InChIInChI=1S/C19H21NO2/c1-19(2)14-22-17(15-9-5-3-6-10-15)13-20(19)18(21)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
InChIKeySXWOPMQQVOUJJH-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-dimethoxyphenyl)-(5,5-dimethyl-2-phenylmorpholin-4-yl)methanone
CID 110327316
(3-fluorophenyl)-[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110327516
[2-(4-fluorophenyl)-5,5-dimethylmorpholin-4-yl]-(3-methylphenyl)methanone
CID 110327513
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(1-hydroxycyclopentyl)ethanone
CID 111432693
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-thiophen-2-ylethanone
CID 110327319
3-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-methyl-3-phenylpropan-1-one
CID 119769752
2-(4-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119769741
[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]-(3,5-dimethoxyphenyl)methanone
CID 110358386
3-(2-aminophenyl)-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)propan-1-one
CID 120610322
4-amino-1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120591420
phenyl 2-(4-fluorophenyl)-5,5-dimethylmorpholine-4-carboxylate
CID 110327554
1,3-benzodioxol-5-yl-[2-(3-chlorophenyl)-5,5-dimethylmorpholin-4-yl]methanone
CID 110358398

Frequently Asked Questions

What is the IUPAC name of (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone?
The IUPAC name of (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone (CID 110327302) is (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone.
What is the SMILES notation for (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone?
The canonical SMILES for (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone is CC1(C)COC(c2ccccc2)CN1C(=O)c1ccccc1.
What is the InChIKey of (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone?
The InChIKey is SXWOPMQQVOUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-19(2)14-22-17(15-9-5-3-6-10-15)13-20(19)18(21)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3.
What are the key properties of (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone?
(5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone has a molecular weight of 295.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethyl-2-phenylmorpholin-4-yl)-phenylmethanone is sourced from PubChem (CID 110327302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).