(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride

C9H12ClF2NO2 — CID 171215809

IUPAC(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1cc(F)c([C@H](N)CO)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO2.ClH/c1-14-5-2-6(10)9(7(11)3-5)8(12)4-13;/h2-3,8,13H,4,12H2,1H3;1H/t8-;/m1./s1
InChIKeyCEWBFKKHWCNZRM-DDWIOCJRSA-N
MW239.65 g/mol
LogP1.39
Rot. Bonds3

About (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171215809) has the molecular formula C9H12ClF2NO2 and a molecular weight of 239.65 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
PubChem CID171215809
Molecular FormulaC9H12ClF2NO2
Molecular Weight239.65 g/mol
Exact Mass239.05
IUPAC Name(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1cc(F)c([C@H](N)CO)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO2.ClH/c1-14-5-2-6(10)9(7(11)3-5)8(12)4-13;/h2-3,8,13H,4,12H2,1H3;1H/t8-;/m1./s1
InChIKeyCEWBFKKHWCNZRM-DDWIOCJRSA-N
XLogP1.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
(1R)-1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171215785
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(1S)-1-(2,6-difluoro-4-methoxyphenyl)pentane-1,5-diamine
CID 171235409
2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
1-(2,6-difluoro-4-methoxyphenyl)hexan-1-amine
CID 54880583
1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992878
(1S)-1-(2,6-difluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 118992875
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171229266
methyl 6-amino-6-(2,6-difluoro-4-methoxyphenyl)hexanoate
CID 60964960

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride (CID 171215809) is (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride is COc1cc(F)c([C@H](N)CO)c(F)c1.Cl.
What is the InChIKey of (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is CEWBFKKHWCNZRM-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11F2NO2.ClH/c1-14-5-2-6(10)9(7(11)3-5)8(12)4-13;/h2-3,8,13H,4,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 239.65 g/mol, XLogP of 1.39, 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-(2,6-difluoro-4-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171215809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).