(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride

C9H13ClFNO2 — CID 171229266

IUPAC(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(F)c([C@@H](N)CO)c1.Cl
InChIInChI=1S/C9H12FNO2.ClH/c1-13-6-2-3-8(10)7(4-6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m0./s1
InChIKeyHJUABYQGQIJZSA-FVGYRXGTSA-N
MW221.66 g/mol
LogP1.25
Rot. Bonds3

About (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride

(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride (PubChem CID 171229266) has the molecular formula C9H13ClFNO2 and a molecular weight of 221.66 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
PubChem CID171229266
Molecular FormulaC9H13ClFNO2
Molecular Weight221.66 g/mol
Exact Mass221.06
IUPAC Name(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(F)c([C@@H](N)CO)c1.Cl
InChIInChI=1S/C9H12FNO2.ClH/c1-13-6-2-3-8(10)7(4-6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m0./s1
InChIKeyHJUABYQGQIJZSA-FVGYRXGTSA-N
XLogP1.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(2-fluoro-4-methoxyphenyl)ethanol
CID 55272766
(4R)-4-amino-4-(2-fluoro-5-methoxyphenyl)butan-1-ol;hydrochloride
CID 171209672
(1S)-1-(2-fluoro-5-methoxyphenyl)propane-1,3-diamine
CID 171229223
(1R)-1-(2-fluoro-5-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171209640
(1R)-1-(2-fluoro-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171209636
(1S)-4,4,4-trifluoro-1-(2-fluoro-5-methoxyphenyl)butan-1-amine;hydrochloride
CID 171229245
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
2-amino-2-(2,4-dimethoxyphenyl)ethanol;hydrochloride
CID 162344444
(2R)-2-amino-2-[4-methoxy-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171227759
(1S)-1-(2-fluoro-5-methoxyphenyl)hexan-1-amine
CID 171229236
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
(3S)-3-amino-3-(2-fluoro-5-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 171242892

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride (CID 171229266) is (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride is COc1ccc(F)c([C@@H](N)CO)c1.Cl.
What is the InChIKey of (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is HJUABYQGQIJZSA-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H12FNO2.ClH/c1-13-6-2-3-8(10)7(4-6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride?
(2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 221.66 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171229266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).