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

C13H18N2O2 — CID 50988688

IUPAC3-amino-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-10-12(11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2
InChIKeyFEHMNJRAFLDFPG-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.59
Rot. Bonds3

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

3-amino-1-morpholin-4-yl-2-phenylpropan-1-one (PubChem CID 50988688) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-morpholin-4-yl-2-phenylpropan-1-one
PubChem CID50988688
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-amino-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H18N2O2/c14-10-12(11-4-2-1-3-5-11)13(16)15-6-8-17-9-7-15/h1-5,12H,6-10,14H2
InChIKeyFEHMNJRAFLDFPG-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one (CID 50988688) is 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one is NCC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one?
The InChIKey is FEHMNJRAFLDFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-10-12(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 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one?
3-amino-1-morpholin-4-yl-2-phenylpropan-1-one has a molecular weight of 234.30 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-morpholin-4-yl-2-phenylpropan-1-one is sourced from PubChem (CID 50988688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).