2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol

C10H16N2O2 — CID 55262663

IUPAC2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol
SMILESCc1cc(N)c(O)c([C@@](C)(N)CO)c1
InChIInChI=1S/C10H16N2O2/c1-6-3-7(10(2,12)5-13)9(14)8(11)4-6/h3-4,13-14H,5,11-12H2,1-2H3/t10-/m0/s1
InChIKeyCDOAAHQXEZNWSE-JTQLQIEISA-N
MW196.25 g/mol
LogP0.45
Rot. Bonds2

About 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol

2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol (PubChem CID 55262663) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol
PubChem CID55262663
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol
SMILESCc1cc(N)c(O)c([C@@](C)(N)CO)c1
InChIInChI=1S/C10H16N2O2/c1-6-3-7(10(2,12)5-13)9(14)8(11)4-6/h3-4,13-14H,5,11-12H2,1-2H3/t10-/m0/s1
InChIKeyCDOAAHQXEZNWSE-JTQLQIEISA-N
XLogP0.45
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.45
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'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol?
The IUPAC name of 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol (CID 55262663) is 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol.
What is the SMILES notation for 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol?
The canonical SMILES for 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol is Cc1cc(N)c(O)c([C@@](C)(N)CO)c1.
What is the InChIKey of 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol?
The InChIKey is CDOAAHQXEZNWSE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-3-7(10(2,12)5-13)9(14)8(11)4-6/h3-4,13-14H,5,11-12H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol?
2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol is sourced from PubChem (CID 55262663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).