(2S)-2-amino-2-phenylpropan-1-ol;hydrochloride

C9H14ClNO — CID 67033402

IUPAC(2S)-2-amino-2-phenylpropan-1-ol;hydrochloride
SMILESC[C@@](N)(CO)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-9(10,7-11)8-5-3-2-4-6-8;/h2-6,11H,7,10H2,1H3;1H/t9-;/m1./s1
InChIKeyHTOKXDKAZQFCHO-SBSPUUFOSA-N
MW187.67 g/mol
LogP1.27
Rot. Bonds2

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

(2S)-2-amino-2-phenylpropan-1-ol;hydrochloride (PubChem CID 67033402) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-phenylpropan-1-ol;hydrochloride
PubChem CID67033402
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name(2S)-2-amino-2-phenylpropan-1-ol;hydrochloride
SMILESC[C@@](N)(CO)c1ccccc1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-9(10,7-11)8-5-3-2-4-6-8;/h2-6,11H,7,10H2,1H3;1H/t9-;/m1./s1
InChIKeyHTOKXDKAZQFCHO-SBSPUUFOSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(R)-beta-aminophenethyl alcohol
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1-Propanol, 3-amino-3-phenyl-
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2-(4-(Aminomethyl)phenyl)ethan-1-ol
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2-Amino-2-phenylethan-1-ol
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CID 90197341
2-Amino-2-(4-decylphenyl)-1,3-propanediol
CID 10566696
2-Amino-2-[(4-nonylphenyl)methyl]propane-1,3-diol
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2-Amino-2-methyl-3-phenylpropan-1-ol--hydrogen chloride (1/1)
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(S)-1-Phenyl-3-propanolamine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride (CID 67033402) is (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride is C[C@@](N)(CO)c1ccccc1.Cl.
What is the InChIKey of (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride?
The InChIKey is HTOKXDKAZQFCHO-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-9(10,7-11)8-5-3-2-4-6-8;/h2-6,11H,7,10H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride?
(2S)-2-amino-2-phenylpropan-1-ol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-phenylpropan-1-ol;hydrochloride is sourced from PubChem (CID 67033402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).