(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride

C11H16ClNO — CID 131846820

IUPAC(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride
SMILESCl.[2H]C([2H])([2H])N([C@@H](C)C(=O)c1ccccc1)C([2H])([2H])[2H]
InChIInChI=1S/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/t9-;/m0./s1/i2D3,3D3;
InChIKeyAPOWZIQNQJSLKG-WOZGYZOBSA-N
MW219.74 g/mol
LogP2.24
Rot. Bonds5

About (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride

(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride (PubChem CID 131846820) has the molecular formula C11H16ClNO and a molecular weight of 219.74 g/mol. Its IUPAC name is (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride
PubChem CID131846820
Molecular FormulaC11H16ClNO
Molecular Weight219.74 g/mol
Exact Mass219.13
IUPAC Name(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride
SMILESCl.[2H]C([2H])([2H])N([C@@H](C)C(=O)c1ccccc1)C([2H])([2H])[2H]
InChIInChI=1S/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/t9-;/m0./s1/i2D3,3D3;
InChIKeyAPOWZIQNQJSLKG-WOZGYZOBSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride (CID 131846820) is (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride is Cl.[2H]C([2H])([2H])N([C@@H](C)C(=O)c1ccccc1)C([2H])([2H])[2H].
What is the InChIKey of (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride?
The InChIKey is APOWZIQNQJSLKG-WOZGYZOBSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9H,1-3H3;1H/t9-;/m0./s1/i2D3,3D3;.
What are the key properties of (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride?
(2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(trideuteriomethyl)amino]-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 131846820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).