(2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride

C8H11Cl2NO — CID 67034221

IUPAC(2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m1./s1
InChIKeyQAYBZIBCNZGNDV-DDWIOCJRSA-N
MW208.09 g/mol
LogP1.75
Rot. Bonds2

About (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride

(2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride (PubChem CID 67034221) has the molecular formula C8H11Cl2NO and a molecular weight of 208.09 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride
PubChem CID67034221
Molecular FormulaC8H11Cl2NO
Molecular Weight208.09 g/mol
Exact Mass207.02
IUPAC Name(2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](CO)c1cccc(Cl)c1
InChIInChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m1./s1
InChIKeyQAYBZIBCNZGNDV-DDWIOCJRSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.09
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride (CID 67034221) is (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride is Cl.N[C@H](CO)c1cccc(Cl)c1.
What is the InChIKey of (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride?
The InChIKey is QAYBZIBCNZGNDV-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H10ClNO.ClH/c9-7-3-1-2-6(4-7)8(10)5-11;/h1-4,8,11H,5,10H2;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(3-chlorophenyl)ethanol;hydrochloride has a molecular weight of 208.09 g/mol, XLogP of 1.75, 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-(3-chlorophenyl)ethanol;hydrochloride is sourced from PubChem (CID 67034221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).