2-amino-1-morpholin-4-yl-3-phenylpropan-1-one

C13H18N2O2 — CID 3826116

IUPAC2-amino-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2
InChIKeyNUAMZZJTBNPSTD-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.42
Rot. Bonds3

About 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one

2-amino-1-morpholin-4-yl-3-phenylpropan-1-one (PubChem CID 3826116) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-morpholin-4-yl-3-phenylpropan-1-one
PubChem CID3826116
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-1-morpholin-4-yl-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCOCC1
InChIInChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2
InChIKeyNUAMZZJTBNPSTD-UHFFFAOYSA-N
XLogP0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one (CID 3826116) is 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one?
The InChIKey is NUAMZZJTBNPSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-12(10-11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2.
What are the key properties of 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one?
2-amino-1-morpholin-4-yl-3-phenylpropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-morpholin-4-yl-3-phenylpropan-1-one is sourced from PubChem (CID 3826116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).