(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride

C9H13Cl2NO2 — CID 171215057

IUPAC(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@H](N)CO.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-13-9-3-2-6(10)4-7(9)8(11)5-12;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m1./s1
InChIKeyGODPICOJNWKUHM-DDWIOCJRSA-N
MW238.11 g/mol
LogP1.76
Rot. Bonds3

About (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride

(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171215057) has the molecular formula C9H13Cl2NO2 and a molecular weight of 238.11 g/mol. Its IUPAC name is (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
PubChem CID171215057
Molecular FormulaC9H13Cl2NO2
Molecular Weight238.11 g/mol
Exact Mass237.03
IUPAC Name(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(Cl)cc1[C@H](N)CO.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-13-9-3-2-6(10)4-7(9)8(11)5-12;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m1./s1
InChIKeyGODPICOJNWKUHM-DDWIOCJRSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
(3S)-3-amino-3-(5-chloro-2-methoxyphenyl)propanenitrile;hydrochloride
CID 171260205
(1R)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-amine;hydrochloride
CID 171215027
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
(1R)-1-(5-chloro-2-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313978
(1S)-1-(5-chloro-2-methoxyphenyl)-2-cyclopropylethanamine;hydrochloride
CID 171234667
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)ethanol
CID 66515416
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride (CID 171215057) is (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride is COc1ccc(Cl)cc1[C@H](N)CO.Cl.
What is the InChIKey of (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is GODPICOJNWKUHM-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H12ClNO2.ClH/c1-13-9-3-2-6(10)4-7(9)8(11)5-12;/h2-4,8,12H,5,11H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 238.11 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171215057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).