5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol

C9H14N2O2 — CID 130001728

IUPAC5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol
SMILESCC(N)(CO)c1ccc(N)cc1O
InChIInChI=1S/C9H14N2O2/c1-9(11,5-12)7-3-2-6(10)4-8(7)13/h2-4,12-13H,5,10-11H2,1H3
InChIKeyQZAAWRKKINNCOC-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.14
Rot. Bonds2

About 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol

5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol (PubChem CID 130001728) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol
PubChem CID130001728
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol
SMILESCC(N)(CO)c1ccc(N)cc1O
InChIInChI=1S/C9H14N2O2/c1-9(11,5-12)7-3-2-6(10)4-8(7)13/h2-4,12-13H,5,10-11H2,1H3
InChIKeyQZAAWRKKINNCOC-UHFFFAOYSA-N
XLogP0.14
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol?
The IUPAC name of 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol (CID 130001728) is 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol?
The canonical SMILES for 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol is CC(N)(CO)c1ccc(N)cc1O.
What is the InChIKey of 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol?
The InChIKey is QZAAWRKKINNCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-9(11,5-12)7-3-2-6(10)4-8(7)13/h2-4,12-13H,5,10-11H2,1H3.
What are the key properties of 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol?
5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol has a molecular weight of 182.22 g/mol, XLogP of 0.14, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 130001728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).