(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride

C9H13ClFNO — CID 171201973

IUPAC(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc([C@H](N)CO)c(F)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-6-2-3-7(8(10)4-6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m1./s1
InChIKeyMMGUEVIDBPTXJL-SBSPUUFOSA-N
MW205.66 g/mol
LogP1.55
Rot. Bonds2

About (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride (PubChem CID 171201973) has the molecular formula C9H13ClFNO and a molecular weight of 205.66 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
PubChem CID171201973
Molecular FormulaC9H13ClFNO
Molecular Weight205.66 g/mol
Exact Mass205.07
IUPAC Name(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc([C@H](N)CO)c(F)c1.Cl
InChIInChI=1S/C9H12FNO.ClH/c1-6-2-3-7(8(10)4-6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m1./s1
InChIKeyMMGUEVIDBPTXJL-SBSPUUFOSA-N
XLogP1.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.66
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(1S)-1-(2-fluoro-4-methylphenyl)propane-1,3-diamine;hydrochloride
CID 171221484
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
(1S)-3-fluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine;hydrochloride
CID 171221503
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171221516
(1R)-3,3-difluoro-1-(2-fluoro-4-methylphenyl)propan-1-amine
CID 131289236
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylbenzoic acid
CID 55274516
1-(2-fluoro-4-methylphenyl)-4-methylpentan-1-amine
CID 112631075

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride (CID 171201973) is (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride is Cc1ccc([C@H](N)CO)c(F)c1.Cl.
What is the InChIKey of (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride?
The InChIKey is MMGUEVIDBPTXJL-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H12FNO.ClH/c1-6-2-3-7(8(10)4-6)9(11)5-12;/h2-4,9,12H,5,11H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride has a molecular weight of 205.66 g/mol, XLogP of 1.55, 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-(2-fluoro-4-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171201973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).