4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride

C10H16ClNO2 — CID 169441604

IUPAC4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride
SMILESCl.[2H]C([2H])([2H])N[C@H](C)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C10H15NO2.ClH/c1-7(11-2)10(13)8-3-5-9(12)6-4-8;/h3-7,10-13H,1-2H3;1H/t7-,10-;/m1./s1/i2D3;
InChIKeyICBZSKCTKKUQSY-XVKDLTBGSA-N
MW220.71 g/mol
LogP1.46
Rot. Bonds4

About 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride

4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride (PubChem CID 169441604) has the molecular formula C10H16ClNO2 and a molecular weight of 220.71 g/mol. Its IUPAC name is 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride
PubChem CID169441604
Molecular FormulaC10H16ClNO2
Molecular Weight220.71 g/mol
Exact Mass220.11
IUPAC Name4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride
SMILESCl.[2H]C([2H])([2H])N[C@H](C)[C@@H](O)c1ccc(O)cc1
InChIInChI=1S/C10H15NO2.ClH/c1-7(11-2)10(13)8-3-5-9(12)6-4-8;/h3-7,10-13H,1-2H3;1H/t7-,10-;/m1./s1/i2D3;
InChIKeyICBZSKCTKKUQSY-XVKDLTBGSA-N
XLogP1.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.71
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-1-phenyl-2-(trideuterio(113C)methylamino)propan-1-ol
CID 76973466
[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
CID 6931144
4-[(1S,2S)-2-amino-1-hydroxypropyl]phenol;hydrochloride
CID 90673533
4-[1-hydroxy-2-[1-(4-methylphenyl)propylamino]propyl]phenol;hydrochloride
CID 141070441
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
4-[(1R)-2-(benzylamino)-1-hydroxypropyl]phenol
CID 71176331
4-[2-(benzylamino)-1-hydroxypropyl]phenol
CID 78021980
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;2-(methylamino)-1-phenylpropan-1-ol;hydrate
CID 67711321
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;sulfane
CID 162055565
copper;(1R,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 90401537
4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol
CID 11106302

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride?
The IUPAC name of 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride (CID 169441604) is 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride.
What is the SMILES notation for 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride?
The canonical SMILES for 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride is Cl.[2H]C([2H])([2H])N[C@H](C)[C@@H](O)c1ccc(O)cc1.
What is the InChIKey of 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride?
The InChIKey is ICBZSKCTKKUQSY-XVKDLTBGSA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c1-7(11-2)10(13)8-3-5-9(12)6-4-8;/h3-7,10-13H,1-2H3;1H/t7-,10-;/m1./s1/i2D3;.
What are the key properties of 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride?
4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride has a molecular weight of 220.71 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-hydroxy-2-(trideuteriomethylamino)propyl]phenol;hydrochloride is sourced from PubChem (CID 169441604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).