2-chloro-2,2-dideuterioethanamine

C2H6ClN — CID 10534652

IUPAC2-chloro-2,2-dideuterioethanamine
SMILES[2H]C([2H])(Cl)CN
InChIInChI=1S/C2H6ClN/c3-1-2-4/h1-2,4H2/i1D2
InChIKeyVKPPFDPXZWFDFA-DICFDUPASA-N
MW81.54 g/mol
LogP0.18
Rot. Bonds1

About 2-chloro-2,2-dideuterioethanamine

2-chloro-2,2-dideuterioethanamine (PubChem CID 10534652) has the molecular formula C2H6ClN and a molecular weight of 81.54 g/mol. Its IUPAC name is 2-chloro-2,2-dideuterioethanamine.

Molecular Properties

Compound Name2-chloro-2,2-dideuterioethanamine
PubChem CID10534652
Molecular FormulaC2H6ClN
Molecular Weight81.54 g/mol
Exact Mass81.03
IUPAC Name2-chloro-2,2-dideuterioethanamine
SMILES[2H]C([2H])(Cl)CN
InChIInChI=1S/C2H6ClN/c3-1-2-4/h1-2,4H2/i1D2
InChIKeyVKPPFDPXZWFDFA-DICFDUPASA-N
XLogP0.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.54
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-dideuterioethanamine?
The IUPAC name of 2-chloro-2,2-dideuterioethanamine (CID 10534652) is 2-chloro-2,2-dideuterioethanamine.
What is the SMILES notation for 2-chloro-2,2-dideuterioethanamine?
The canonical SMILES for 2-chloro-2,2-dideuterioethanamine is [2H]C([2H])(Cl)CN.
What is the InChIKey of 2-chloro-2,2-dideuterioethanamine?
The InChIKey is VKPPFDPXZWFDFA-DICFDUPASA-N. The full InChI is InChI=1S/C2H6ClN/c3-1-2-4/h1-2,4H2/i1D2.
What are the key properties of 2-chloro-2,2-dideuterioethanamine?
2-chloro-2,2-dideuterioethanamine has a molecular weight of 81.54 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-dideuterioethanamine is sourced from PubChem (CID 10534652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).