(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride

C9H12Cl2FNO — CID 171209714

IUPAC(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(F)c([C@H](N)CO)c1Cl.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-5-2-3-6(11)8(9(5)10)7(12)4-13;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1
InChIKeyDPXLVUDTKJYVRD-OGFXRTJISA-N
MW240.10 g/mol
LogP2.20
Rot. Bonds2

About (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride

(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride (PubChem CID 171209714) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
PubChem CID171209714
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.10 g/mol
Exact Mass239.03
IUPAC Name(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride
SMILESCc1ccc(F)c([C@H](N)CO)c1Cl.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-5-2-3-6(11)8(9(5)10)7(12)4-13;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1
InChIKeyDPXLVUDTKJYVRD-OGFXRTJISA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)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

(2S)-2-amino-2-(2,6-difluoro-3-methylphenyl)ethanol;hydrochloride
CID 171209975
(1S)-1-(2-chloro-6-fluoro-3-methylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171229290
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
(1R)-1-(2-chloro-6-fluoro-3-methylphenyl)-3,3-difluoropropan-1-amine
CID 131400437
(3S)-3-amino-3-(2-chloro-6-fluoro-3-methylphenyl)propanenitrile;hydrochloride
CID 171260075
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetic acid
CID 66512428
methyl (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)acetate;hydrochloride
CID 171209713
(1S,2R)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264050
(1R,2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)-1-cyclobutylethanol;hydrochloride
CID 171269724
2-[(1R)-1-amino-2-hydroxyethyl]-3-chloro-6-methylphenol
CID 66514115
2-[(1R)-1-amino-3-hydroxypropyl]-3-fluoro-6-methylphenol;hydrochloride
CID 171257305
(1S)-1-(2-chloro-3,6-difluorophenyl)-2-fluoroethanamine
CID 124707711

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride (CID 171209714) is (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride is Cc1ccc(F)c([C@H](N)CO)c1Cl.Cl.
What is the InChIKey of (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride?
The InChIKey is DPXLVUDTKJYVRD-OGFXRTJISA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c1-5-2-3-6(11)8(9(5)10)7(12)4-13;/h2-3,7,13H,4,12H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride?
(2S)-2-amino-2-(2-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride has a molecular weight of 240.10 g/mol, XLogP of 2.20, 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-chloro-6-fluoro-3-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 171209714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).