2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol

C15H23NO3 — CID 64810139

IUPAC2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol
SMILESNC(CO)(COCC1CCOCC1)c1ccccc1
InChIInChI=1S/C15H23NO3/c16-15(11-17,14-4-2-1-3-5-14)12-19-10-13-6-8-18-9-7-13/h1-5,13,17H,6-12,16H2
InChIKeyAEYKZBORXWUYPY-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.28
Rot. Bonds6

About 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol

2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol (PubChem CID 64810139) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol
PubChem CID64810139
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol
SMILESNC(CO)(COCC1CCOCC1)c1ccccc1
InChIInChI=1S/C15H23NO3/c16-15(11-17,14-4-2-1-3-5-14)12-19-10-13-6-8-18-9-7-13/h1-5,13,17H,6-12,16H2
InChIKeyAEYKZBORXWUYPY-UHFFFAOYSA-N
XLogP1.28
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol 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 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol (CID 64810139) is 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol is NC(CO)(COCC1CCOCC1)c1ccccc1.
What is the InChIKey of 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol?
The InChIKey is AEYKZBORXWUYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c16-15(11-17,14-4-2-1-3-5-14)12-19-10-13-6-8-18-9-7-13/h1-5,13,17H,6-12,16H2.
What are the key properties of 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol?
2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(oxan-4-ylmethoxy)-2-phenylpropan-1-ol is sourced from PubChem (CID 64810139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).