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

C15H21NO2 — CID 16894672

IUPAC2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-15(2,3)14(17)16-9-10-18-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeySYEKUVWIBUDQBX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.63
Rot. Bonds1

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

2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 16894672) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one
PubChem CID16894672
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-15(2,3)14(17)16-9-10-18-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKeySYEKUVWIBUDQBX-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one (CID 16894672) is 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one is CC(C)(C)C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is SYEKUVWIBUDQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,3)14(17)16-9-10-18-13(11-16)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one?
2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 16894672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).