2-amino-1,1,2,2-tetradeuterioethanol

C2H7NO — CID 13000300

IUPAC2-amino-1,1,2,2-tetradeuterioethanol
SMILES[2H]C([2H])(N)C([2H])([2H])O
InChIInChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/i1D2,2D2
InChIKeyHZAXFHJVJLSVMW-LNLMKGTHSA-N
MW65.11 g/mol
LogP-1.06
Rot. Bonds1

About 2-amino-1,1,2,2-tetradeuterioethanol

2-amino-1,1,2,2-tetradeuterioethanol (PubChem CID 13000300) has the molecular formula C2H7NO and a molecular weight of 65.11 g/mol. Its IUPAC name is 2-amino-1,1,2,2-tetradeuterioethanol.

Molecular Properties

Compound Name2-amino-1,1,2,2-tetradeuterioethanol
PubChem CID13000300
Molecular FormulaC2H7NO
Molecular Weight65.11 g/mol
Exact Mass65.08
IUPAC Name2-amino-1,1,2,2-tetradeuterioethanol
SMILES[2H]C([2H])(N)C([2H])([2H])O
InChIInChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/i1D2,2D2
InChIKeyHZAXFHJVJLSVMW-LNLMKGTHSA-N
XLogP-1.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50065.11
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,2,2-tetradeuterioethanol?
The IUPAC name of 2-amino-1,1,2,2-tetradeuterioethanol (CID 13000300) is 2-amino-1,1,2,2-tetradeuterioethanol.
What is the SMILES notation for 2-amino-1,1,2,2-tetradeuterioethanol?
The canonical SMILES for 2-amino-1,1,2,2-tetradeuterioethanol is [2H]C([2H])(N)C([2H])([2H])O.
What is the InChIKey of 2-amino-1,1,2,2-tetradeuterioethanol?
The InChIKey is HZAXFHJVJLSVMW-LNLMKGTHSA-N. The full InChI is InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2/i1D2,2D2.
What are the key properties of 2-amino-1,1,2,2-tetradeuterioethanol?
2-amino-1,1,2,2-tetradeuterioethanol has a molecular weight of 65.11 g/mol, XLogP of -1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,2,2-tetradeuterioethanol is sourced from PubChem (CID 13000300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).