3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one

C13H19NO2 — CID 115113429

IUPAC3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
SMILESCC(C)(CO)c1ccccc1C(=O)CCN
InChIInChI=1S/C13H19NO2/c1-13(2,9-15)11-6-4-3-5-10(11)12(16)7-8-14/h3-6,15H,7-9,14H2,1-2H3
InChIKeyUQTOCKQXUNKACX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.49
Rot. Bonds5

About 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one

3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one (PubChem CID 115113429) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
PubChem CID115113429
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one
SMILESCC(C)(CO)c1ccccc1C(=O)CCN
InChIInChI=1S/C13H19NO2/c1-13(2,9-15)11-6-4-3-5-10(11)12(16)7-8-14/h3-6,15H,7-9,14H2,1-2H3
InChIKeyUQTOCKQXUNKACX-UHFFFAOYSA-N
XLogP1.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one (CID 115113429) is 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one is CC(C)(CO)c1ccccc1C(=O)CCN.
What is the InChIKey of 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one?
The InChIKey is UQTOCKQXUNKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-13(2,9-15)11-6-4-3-5-10(11)12(16)7-8-14/h3-6,15H,7-9,14H2,1-2H3.
What are the key properties of 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one?
3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(1-hydroxy-2-methylpropan-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 115113429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).