(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride

C9H14ClNO — CID 76974285

IUPAC(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
SMILESCl.[2H]C([2H])([2H])[C@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9+;/m0./s1/i1D3;
InChIKeyDYWNLSQWJMTVGJ-CTASQPIASA-N
MW190.69 g/mol
LogP1.49
Rot. Bonds3

About (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride

(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride (PubChem CID 76974285) has the molecular formula C9H14ClNO and a molecular weight of 190.69 g/mol. Its IUPAC name is (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
PubChem CID76974285
Molecular FormulaC9H14ClNO
Molecular Weight190.69 g/mol
Exact Mass190.10
IUPAC Name(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride
SMILESCl.[2H]C([2H])([2H])[C@H](N)[C@@H](O)c1ccccc1
InChIInChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9+;/m0./s1/i1D3;
InChIKeyDYWNLSQWJMTVGJ-CTASQPIASA-N
XLogP1.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.69
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(1S,2R)-2-amino-1-phenylpropan-1-ol;formic acid
CID 118541105
(1R,2R)-2-amino-1,2-diphenylethanol;hydrochloride
CID 145453159
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2S)-2-amino-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid
CID 76960503
(1S,2R)-2-amino-1-phenylpropan-1-ol;(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
CID 69186898
2,2,2-trideuterio-1-phenylethanol
CID 15618819
(1S,2R)-2-amino-1,2-diphenylethanol
CID 719822
(1R,2S)-2-(15N)azanyl-1,2-diphenylethanol
CID 11745978
(1S,2R)-2-amino-1-phenylpropan-1-ol;benzene-1,2-dicarboxamide
CID 174804503
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2S)-2-amino-1-phenylbutan-1-ol
CID 36689126

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride (CID 76974285) is (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride is Cl.[2H]C([2H])([2H])[C@H](N)[C@@H](O)c1ccccc1.
What is the InChIKey of (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride?
The InChIKey is DYWNLSQWJMTVGJ-CTASQPIASA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7(10)9(11)8-5-3-2-4-6-8;/h2-7,9,11H,10H2,1H3;1H/t7-,9+;/m0./s1/i1D3;.
What are the key properties of (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride?
(1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride has a molecular weight of 190.69 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 76974285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).