1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine

C10H15N — CID 71308404

IUPAC1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C(c1ccccc1)C([2H])(C)NC([2H])([2H])[2H]
InChIInChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/i2D3,8D,9D
InChIKeyMYWUZJCMWCOHBA-CXVYKYTNSA-N
MW154.27 g/mol
LogP1.84
Rot. Bonds4

About 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine

1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine (PubChem CID 71308404) has the molecular formula C10H15N and a molecular weight of 154.27 g/mol. Its IUPAC name is 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine.

Molecular Properties

Compound Name1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine
PubChem CID71308404
Molecular FormulaC10H15N
Molecular Weight154.27 g/mol
Exact Mass154.15
IUPAC Name1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine
SMILES[2H]C(c1ccccc1)C([2H])(C)NC([2H])([2H])[2H]
InChIInChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/i2D3,8D,9D
InChIKeyMYWUZJCMWCOHBA-CXVYKYTNSA-N
XLogP1.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine?
The IUPAC name of 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine (CID 71308404) is 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine.
What is the SMILES notation for 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine?
The canonical SMILES for 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine is [2H]C(c1ccccc1)C([2H])(C)NC([2H])([2H])[2H].
What is the InChIKey of 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine?
The InChIKey is MYWUZJCMWCOHBA-CXVYKYTNSA-N. The full InChI is InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/i2D3,8D,9D.
What are the key properties of 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine?
1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine has a molecular weight of 154.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dideuterio-1-phenyl-N-(trideuteriomethyl)propan-2-amine is sourced from PubChem (CID 71308404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).